N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C117H123F12N11O14S — CID 167545232

IUPACN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccc(C(=O)N(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(OCC(O)CN(Cc2ccccc2C)S(=O)(=O)c2cccnc2)cc1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CC1=NC=CC1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O3.C24H23F3N2O3.C23H25F3N2O2.C23H26N2O4S.C22H24F3N3O2/c1-17-5-3-4-6-20(17)14-30(24(32)19-8-7-18(2)29-13-19)15-22(31)16-33-23-11-9-21(10-12-23)25(26,27)28;1-17-5-2-3-6-19(17)14-29(23(31)18-7-4-12-28-13-18)15-21(30)16-32-22-10-8-20(9-11-22)24(25,26)27;1-17-5-2-3-6-18(17)13-28(14-20-7-4-12-27-20)15-21(29)16-30-22-10-8-19(9-11-22)23(24,25)26;1-18-9-11-22(12-10-18)29-17-21(26)16-25(15-20-7-4-3-6-19(20)2)30(27,28)23-8-5-13-24-14-23;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h3-13,22,31H,14-16H2,1-2H3;2-13,21,30H,14-16H2,1H3;2-6,8-12,21,29H,7,13-16H2,1H3;3-14,21,26H,15-17H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27)
InChIKeyBRYLAMHWJNZQIL-UHFFFAOYSA-N
MW2167.38 g/mol
LogP21.41
Rot. Bonds43

About N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167545232) has the molecular formula C117H123F12N11O14S and a molecular weight of 2167.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167545232
Molecular FormulaC117H123F12N11O14S
Molecular Weight2167.38 g/mol
Exact Mass2165.88
IUPAC NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccc(C(=O)N(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(OCC(O)CN(Cc2ccccc2C)S(=O)(=O)c2cccnc2)cc1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CC1=NC=CC1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O3.C24H23F3N2O3.C23H25F3N2O2.C23H26N2O4S.C22H24F3N3O2/c1-17-5-3-4-6-20(17)14-30(24(32)19-8-7-18(2)29-13-19)15-22(31)16-33-23-11-9-21(10-12-23)25(26,27)28;1-17-5-2-3-6-19(17)14-29(23(31)18-7-4-12-28-13-18)15-21(30)16-32-22-10-8-20(9-11-22)24(25,26)27;1-17-5-2-3-6-18(17)13-28(14-20-7-4-12-27-20)15-21(29)16-30-22-10-8-19(9-11-22)23(24,25)26;1-18-9-11-22(12-10-18)29-17-21(26)16-25(15-20-7-4-3-6-19(20)2)30(27,28)23-8-5-13-24-14-23;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h3-13,22,31H,14-16H2,1-2H3;2-13,21,30H,14-16H2,1H3;2-6,8-12,21,29H,7,13-16H2,1H3;3-14,21,26H,15-17H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27)
InChIKeyBRYLAMHWJNZQIL-UHFFFAOYSA-N
XLogP21.41
TPSA311.49 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.38
LogP ≤ 521.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine
CID 167591013
3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167638553

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167545232) is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccc(C(=O)N(Cc2ccccc2C)CC(O)COc2ccc(C(F)(F)F)cc2)cn1.Cc1ccc(OCC(O)CN(Cc2ccccc2C)S(=O)(=O)c2cccnc2)cc1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CC1=NC=CC1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is BRYLAMHWJNZQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3.C24H23F3N2O3.C23H25F3N2O2.C23H26N2O4S.C22H24F3N3O2/c1-17-5-3-4-6-20(17)14-30(24(32)19-8-7-18(2)29-13-19)15-22(31)16-33-23-11-9-21(10-12-23)25(26,27)28;1-17-5-2-3-6-19(17)14-29(23(31)18-7-4-12-28-13-18)15-21(30)16-32-22-10-8-20(9-11-22)24(25,26)27;1-17-5-2-3-6-18(17)13-28(14-20-7-4-12-27-20)15-21(29)16-30-22-10-8-19(9-11-22)23(24,25)26;1-18-9-11-22(12-10-18)29-17-21(26)16-25(15-20-7-4-3-6-19(20)2)30(27,28)23-8-5-13-24-14-23;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h3-13,22,31H,14-16H2,1-2H3;2-13,21,30H,14-16H2,1H3;2-6,8-12,21,29H,7,13-16H2,1H3;3-14,21,26H,15-17H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27).
What are the key properties of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2167.38 g/mol, XLogP of 21.41, 43 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(3H-pyrrol-2-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167545232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).