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

C119H131F3N24O10S — CID 159910282

IUPAC4-[[(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
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C32H35N3O4.C30H33N7O2.C30H31N7O2.C27H32F3N7O2S/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;2*1-20-16-21(2)18-26(17-20)31-30(39)37(27-14-12-24(13-15-27)23-6-4-3-5-7-23)19-22-8-10-25(11-9-22)28(38)32-29-33-35-36-34-29;1-26(2,3)19-11-13-21(14-12-19)37(25(39)31-20-5-4-6-22(15-20)40-27(28,29)30)16-17-7-9-18(10-8-17)23(38)32-24-33-35-36-34-24/h6,8-15,18-20H,3-5,7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);8-18,23H,3-7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);6,8-18H,3-5,7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);4-10,15,19,21H,11-14,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)
InChIKeyNXCGJJJPHWWPHB-UHFFFAOYSA-N
MW2146.58 g/mol
LogP26.03
Rot. Bonds30

About 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

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 (PubChem CID 159910282) has the molecular formula C119H131F3N24O10S and a molecular weight of 2146.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[(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
PubChem CID159910282
Molecular FormulaC119H131F3N24O10S
Molecular Weight2146.58 g/mol
Exact Mass2145.02
IUPAC Name4-[[(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
SMILESCC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C32H35N3O4.C30H33N7O2.C30H31N7O2.C27H32F3N7O2S/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;2*1-20-16-21(2)18-26(17-20)31-30(39)37(27-14-12-24(13-15-27)23-6-4-3-5-7-23)19-22-8-10-25(11-9-22)28(38)32-29-33-35-36-34-29;1-26(2,3)19-11-13-21(14-12-19)37(25(39)31-20-5-4-6-22(15-20)40-27(28,29)30)16-17-7-9-18(10-8-17)23(38)32-24-33-35-36-34-24/h6,8-15,18-20H,3-5,7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);8-18,23H,3-7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);6,8-18H,3-5,7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);4-10,15,19,21H,11-14,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)
InChIKeyNXCGJJJPHWWPHB-UHFFFAOYSA-N
XLogP26.03
TPSA446.44 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002146.58
LogP ≤ 526.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is NXCGJJJPHWWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4.C30H33N7O2.C30H31N7O2.C27H32F3N7O2S/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;2*1-20-16-21(2)18-26(17-20)31-30(39)37(27-14-12-24(13-15-27)23-6-4-3-5-7-23)19-22-8-10-25(11-9-22)28(38)32-29-33-35-36-34-29;1-26(2,3)19-11-13-21(14-12-19)37(25(39)31-20-5-4-6-22(15-20)40-27(28,29)30)16-17-7-9-18(10-8-17)23(38)32-24-33-35-36-34-24/h6,8-15,18-20H,3-5,7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);8-18,23H,3-7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);6,8-18H,3-5,7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);4-10,15,19,21H,11-14,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38).
What are the key properties of 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?
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 has a molecular weight of 2146.58 g/mol, XLogP of 26.03, 30 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159910282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).