5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide

C23H23ClN2O4S2 — CID 72981087

IUPAC5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C23H23ClN2O4S2/c24-21-13-12-20(31-21)23(28)25-19-6-2-1-5-16(19)15-32(29,30)18-10-8-17(9-11-18)26-14-4-3-7-22(26)27/h3-4,7-14,16,19H,1-2,5-6,15H2,(H,25,28)
InChIKeyGMGYLVQHFGNODE-UHFFFAOYSA-N
MW491.03 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide

5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 72981087) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
PubChem CID72981087
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Name5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C23H23ClN2O4S2/c24-21-13-12-20(31-21)23(28)25-19-6-2-1-5-16(19)15-32(29,30)18-10-8-17(9-11-18)26-14-4-3-7-22(26)27/h3-4,7-14,16,19H,1-2,5-6,15H2,(H,25,28)
InChIKeyGMGYLVQHFGNODE-UHFFFAOYSA-N
XLogP4.31
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
5-chloro-N-[(1R,2S)-2-[[3-methyl-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 11465236
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
(3R,4S)-1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
CID 18453015
N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 18453260
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide;sulfane
CID 169424051
N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide
CID 18453267
6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 11306712

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide (CID 72981087) is 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCCC1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is GMGYLVQHFGNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c24-21-13-12-20(31-21)23(28)25-19-6-2-1-5-16(19)15-32(29,30)18-10-8-17(9-11-18)26-14-4-3-7-22(26)27/h3-4,7-14,16,19H,1-2,5-6,15H2,(H,25,28).
What are the key properties of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 491.03 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 72981087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).