N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide

C29H28ClN3O4S — CID 70343456

IUPACN-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESCC1(NC(=O)c2ccc(-n3ccccc3=O)cc2)CCCC[C@H]1NS(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C29H28ClN3O4S/c1-29(31-28(35)20-9-13-24(14-10-20)33-17-5-3-7-27(33)34)16-4-2-6-26(29)32-38(36,37)25-15-11-21-18-23(30)12-8-22(21)19-25/h3,5,7-15,17-19,26,32H,2,4,6,16H2,1H3,(H,31,35)/t26-,29?/m1/s1
InChIKeyIPJRPHZAKYESPE-QZWVJJBASA-N
MW550.08 g/mol
LogP5.05
Rot. Bonds6

About N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide

N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 70343456) has the molecular formula C29H28ClN3O4S and a molecular weight of 550.08 g/mol. Its IUPAC name is N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID70343456
Molecular FormulaC29H28ClN3O4S
Molecular Weight550.08 g/mol
Exact Mass549.15
IUPAC NameN-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESCC1(NC(=O)c2ccc(-n3ccccc3=O)cc2)CCCC[C@H]1NS(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C29H28ClN3O4S/c1-29(31-28(35)20-9-13-24(14-10-20)33-17-5-3-7-27(33)34)16-4-2-6-26(29)32-38(36,37)25-15-11-21-18-23(30)12-8-22(21)19-25/h3,5,7-15,17-19,26,32H,2,4,6,16H2,1H3,(H,31,35)/t26-,29?/m1/s1
InChIKeyIPJRPHZAKYESPE-QZWVJJBASA-N
XLogP5.05
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.08
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide;sulfane
CID 160852973
methyl 2-[(6-chloronaphthalen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetate
CID 10099742
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 142943661
N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 69439505
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 71189210
6-chloro-N-[1-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91252993
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide
CID 10174132
6-chloro-N-[1-[(2S)-1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91066937
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
CID 22016962

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide (CID 70343456) is N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide is CC1(NC(=O)c2ccc(-n3ccccc3=O)cc2)CCCC[C@H]1NS(=O)(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is IPJRPHZAKYESPE-QZWVJJBASA-N. The full InChI is InChI=1S/C29H28ClN3O4S/c1-29(31-28(35)20-9-13-24(14-10-20)33-17-5-3-7-27(33)34)16-4-2-6-26(29)32-38(36,37)25-15-11-21-18-23(30)12-8-22(21)19-25/h3,5,7-15,17-19,26,32H,2,4,6,16H2,1H3,(H,31,35)/t26-,29?/m1/s1.
What are the key properties of N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 550.08 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]-1-methylcyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 70343456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).