N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen

C26H31N3O4S — CID 157227838

IUPACN-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CCCC2)cc1.[H][H]
InChIInChI=1S/C26H29N3O4S.H2/c1-33-22-14-12-21(13-15-22)26(16-3-4-17-26)25(30)29-24-7-5-6-23(28-24)20-10-8-19(9-11-20)18-27-34(2,31)32;/h5-15,27H,3-4,16-18H2,1-2H3,(H,28,29,30);1H
InChIKeyATTCPCGKEKHYIY-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.50
Rot. Bonds8

About N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen

N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen (PubChem CID 157227838) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
PubChem CID157227838
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CCCC2)cc1.[H][H]
InChIInChI=1S/C26H29N3O4S.H2/c1-33-22-14-12-21(13-15-22)26(16-3-4-17-26)25(30)29-24-7-5-6-23(28-24)20-10-8-19(9-11-20)18-27-34(2,31)32;/h5-15,27H,3-4,16-18H2,1-2H3,(H,28,29,30);1H
InChIKeyATTCPCGKEKHYIY-UHFFFAOYSA-N
XLogP4.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen 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

1-(4-methoxyphenyl)-N-[6-[4-[(methylsulfanylamino)methyl]phenyl]-2-pyridinyl]cyclohexane-1-carboxamide
CID 59344855
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159897918
N-[6-[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]ethyl]phenyl]-2-pyridinyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 159350527
N-[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 59206248
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 159191136
4-(4-methoxyphenyl)-N-[6-[4-(2-methylsulfanylethyl)phenyl]-2-pyridinyl]oxane-4-carboxamide;dihydrate
CID 162085310
N-[6-[4-[2-(hydroxymethyl)pyrazolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 129051860
N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
CID 59166205
N-[6-[4-[(2S)-2-ethylpyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 162122519
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159945345
1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 123439592
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160965327

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen (CID 157227838) is N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen is COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CCCC2)cc1.[H][H].
What is the InChIKey of N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?
The InChIKey is ATTCPCGKEKHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S.H2/c1-33-22-14-12-21(13-15-22)26(16-3-4-17-26)25(30)29-24-7-5-6-23(28-24)20-10-8-19(9-11-20)18-27-34(2,31)32;/h5-15,27H,3-4,16-18H2,1-2H3,(H,28,29,30);1H.
What are the key properties of N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?
N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen has a molecular weight of 481.62 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157227838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).