4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid

C122H128F14N24O13S — CID 162017134

IUPAC4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1.COc1ccc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)cc1C(F)(F)F.O=C(Nc1nn[nH]n1)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)c(S(=O)Cc3ccccc3)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1
InChIInChI=1S/C36H34F3N7O4S.C31H29F4N3O4.C28H34F3N7O3.C27H31F4N7O2/c37-36(38,39)50-31-20-17-29(21-32(31)51(49)23-25-7-3-1-4-8-25)40-35(48)46(30-18-15-27(16-19-30)26-9-5-2-6-10-26)22-24-11-13-28(14-12-24)33(47)41-34-42-44-45-43-34;32-27-15-12-24(18-26(27)31(33,34)35)37-30(42)38(25-13-10-22(11-14-25)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(41)36-17-16-28(39)40;1-27(2,3)19-9-12-21(13-10-19)38(26(40)32-20-11-14-23(41-4)22(15-20)28(29,30)31)16-17-5-7-18(8-6-17)24(39)33-25-34-36-37-35-25;1-26(2,3)18-8-11-20(12-9-18)38(25(40)32-19-10-13-22(28)21(14-19)27(29,30)31)15-16-4-6-17(7-5-16)23(39)33-24-34-36-37-35-24/h1,3-4,7-8,11-21,26H,2,5-6,9-10,22-23H2,(H,40,48)(H2,41,42,43,44,45,47);4,6-15,18H,1-3,5,16-17,19H2,(H,36,41)(H,37,42)(H,39,40);5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H,32,40)(H2,33,34,35,36,37,39);4-7,10,13-14,18,20H,8-9,11-12,15H2,1-3H3,(H,32,40)(H2,33,34,35,36,37,39)
InChIKeyYUGHAOLKFQIQKI-UHFFFAOYSA-N
MW2436.56 g/mol
LogP27.56
Rot. Bonds33

About 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid

4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid (PubChem CID 162017134) has the molecular formula C122H128F14N24O13S and a molecular weight of 2436.56 g/mol. Its IUPAC name is 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
PubChem CID162017134
Molecular FormulaC122H128F14N24O13S
Molecular Weight2436.56 g/mol
Exact Mass2434.96
IUPAC Name4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1.COc1ccc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)cc1C(F)(F)F.O=C(Nc1nn[nH]n1)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)c(S(=O)Cc3ccccc3)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1
InChIInChI=1S/C36H34F3N7O4S.C31H29F4N3O4.C28H34F3N7O3.C27H31F4N7O2/c37-36(38,39)50-31-20-17-29(21-32(31)51(49)23-25-7-3-1-4-8-25)40-35(48)46(30-18-15-27(16-19-30)26-9-5-2-6-10-26)22-24-11-13-28(14-12-24)33(47)41-34-42-44-45-43-34;32-27-15-12-24(18-26(27)31(33,34)35)37-30(42)38(25-13-10-22(11-14-25)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(41)36-17-16-28(39)40;1-27(2,3)19-9-12-21(13-10-19)38(26(40)32-20-11-14-23(41-4)22(15-20)28(29,30)31)16-17-5-7-18(8-6-17)24(39)33-25-34-36-37-35-25;1-26(2,3)18-8-11-20(12-9-18)38(25(40)32-19-10-13-22(28)21(14-19)27(29,30)31)15-16-4-6-17(7-5-16)23(39)33-24-34-36-37-35-24/h1,3-4,7-8,11-21,26H,2,5-6,9-10,22-23H2,(H,40,48)(H2,41,42,43,44,45,47);4,6-15,18H,1-3,5,16-17,19H2,(H,36,41)(H,37,42)(H,39,40);5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H,32,40)(H2,33,34,35,36,37,39);4-7,10,13-14,18,20H,8-9,11-12,15H2,1-3H3,(H,32,40)(H2,33,34,35,36,37,39)
InChIKeyYUGHAOLKFQIQKI-UHFFFAOYSA-N
XLogP27.56
TPSA481.97 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002436.56
LogP ≤ 527.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

4-[[[2,5-bis(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[N-[[2,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[N-[[2,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]propanoic acid;4-[[N-[[2,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 160619256
4-[[(4-tert-butylcyclohexyl)-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dibromophenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[(3,5-dibromophenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
CID 161109593
4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 159910282
4-[[4-cyclohexyl-N-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23550013
4-[[(4-tert-butylcyclohexyl)-[(3,5-dibromophenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoyl]amino]propanoic acid;4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
CID 158825300
4-[[4-tert-butyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-cyclohexyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 159159439
4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23550051
4-[[4-cyclohexyl-N-[[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549980
4-[[4-tert-butyl-N-[(4,6-dichloro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(4,6-dichloro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[(4,6-dichloro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[(5,7-dichloro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
CID 160573336
4-[[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;methane
CID 157065269
4-[[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549911
3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
CID 87417368

Frequently Asked Questions

What is the IUPAC name of 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The IUPAC name of 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid (CID 162017134) is 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid is CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1.COc1ccc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)cc1C(F)(F)F.O=C(Nc1nn[nH]n1)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)c(S(=O)Cc3ccccc3)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
The InChIKey is YUGHAOLKFQIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N7O4S.C31H29F4N3O4.C28H34F3N7O3.C27H31F4N7O2/c37-36(38,39)50-31-20-17-29(21-32(31)51(49)23-25-7-3-1-4-8-25)40-35(48)46(30-18-15-27(16-19-30)26-9-5-2-6-10-26)22-24-11-13-28(14-12-24)33(47)41-34-42-44-45-43-34;32-27-15-12-24(18-26(27)31(33,34)35)37-30(42)38(25-13-10-22(11-14-25)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(41)36-17-16-28(39)40;1-27(2,3)19-9-12-21(13-10-19)38(26(40)32-20-11-14-23(41-4)22(15-20)28(29,30)31)16-17-5-7-18(8-6-17)24(39)33-25-34-36-37-35-25;1-26(2,3)18-8-11-20(12-9-18)38(25(40)32-19-10-13-22(28)21(14-19)27(29,30)31)15-16-4-6-17(7-5-16)23(39)33-24-34-36-37-35-24/h1,3-4,7-8,11-21,26H,2,5-6,9-10,22-23H2,(H,40,48)(H2,41,42,43,44,45,47);4,6-15,18H,1-3,5,16-17,19H2,(H,36,41)(H,37,42)(H,39,40);5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H,32,40)(H2,33,34,35,36,37,39);4-7,10,13-14,18,20H,8-9,11-12,15H2,1-3H3,(H,32,40)(H2,33,34,35,36,37,39).
What are the key properties of 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid?
4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid has a molecular weight of 2436.56 g/mol, XLogP of 27.56, 33 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-[[3-benzylsulfinyl-4-(trifluoromethoxy)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[(4-tert-butylcyclohexyl)-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 162017134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).