N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide

C40H43F2N5O7S — CID 169264430

IUPACN-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2cc(NC(=O)c3cc4ccc(C)cc4nc3N3CCC(F)(F)C(C)C3)ccn2)c(OC)c1
InChIInChI=1S/C40H43F2N5O7S/c1-25-7-8-27-18-33(38(45-34(27)17-25)46-16-14-40(41,42)26(2)22-46)39(48)44-30-13-15-43-37(19-30)55(49,50)47(23-28-9-11-31(51-3)20-35(28)53-5)24-29-10-12-32(52-4)21-36(29)54-6/h7-13,15,17-21,26H,14,16,22-24H2,1-6H3,(H,43,44,48)
InChIKeyYEHHRVCNGPBLSM-UHFFFAOYSA-N
MW775.88 g/mol
LogP7.10
Rot. Bonds13

About N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide

N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide (PubChem CID 169264430) has the molecular formula C40H43F2N5O7S and a molecular weight of 775.88 g/mol. Its IUPAC name is N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide
PubChem CID169264430
Molecular FormulaC40H43F2N5O7S
Molecular Weight775.88 g/mol
Exact Mass775.29
IUPAC NameN-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2cc(NC(=O)c3cc4ccc(C)cc4nc3N3CCC(F)(F)C(C)C3)ccn2)c(OC)c1
InChIInChI=1S/C40H43F2N5O7S/c1-25-7-8-27-18-33(38(45-34(27)17-25)46-16-14-40(41,42)26(2)22-46)39(48)44-30-13-15-43-37(19-30)55(49,50)47(23-28-9-11-31(51-3)20-35(28)53-5)24-29-10-12-32(52-4)21-36(29)54-6/h7-13,15,17-21,26H,14,16,22-24H2,1-6H3,(H,43,44,48)
InChIKeyYEHHRVCNGPBLSM-UHFFFAOYSA-N
XLogP7.10
TPSA132.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.88
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146526119
N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146526092
5-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-3-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoxaline-2-carboxamide
CID 175968953
4-[[5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carbonyl]-[[5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carbonyl]amino]amino]-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfonamide
CID 167313541
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
4-[[5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carbonyl]-[[5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carbonyl]amino]amino]-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfonamide
CID 167313493
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 169264076
(1R,2R,6S)-N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(3,4-difluoro-2-methoxyphenyl)-6-methylcyclohexane-1-carboxamide
CID 177192993
2-(4,4-difluoroazepan-1-yl)-6,7-dimethyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]quinoline-3-carboxamide
CID 177101555
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
2-(4,4-difluoroazepan-1-yl)-7-methoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 169264344
N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525794

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide?
The IUPAC name of N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide (CID 169264430) is N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide?
The canonical SMILES for N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2cc(NC(=O)c3cc4ccc(C)cc4nc3N3CCC(F)(F)C(C)C3)ccn2)c(OC)c1.
What is the InChIKey of N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide?
The InChIKey is YEHHRVCNGPBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F2N5O7S/c1-25-7-8-27-18-33(38(45-34(27)17-25)46-16-14-40(41,42)26(2)22-46)39(48)44-30-13-15-43-37(19-30)55(49,50)47(23-28-9-11-31(51-3)20-35(28)53-5)24-29-10-12-32(52-4)21-36(29)54-6/h7-13,15,17-21,26H,14,16,22-24H2,1-6H3,(H,43,44,48).
What are the key properties of N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide?
N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide has a molecular weight of 775.88 g/mol, XLogP of 7.10, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide is sourced from PubChem (CID 169264430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).