5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide

C23H22ClN3O3S — CID 11408450

IUPAC5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-20-13-12-19(31-20)23(30)26-18-6-2-1-5-17(18)25-22(29)15-8-10-16(11-9-15)27-14-4-3-7-21(27)28/h3-4,7-14,17-18H,1-2,5-6H2,(H,25,29)(H,26,30)/t17-,18+/m0/s1
InChIKeyKCLLJRHJUXDXSJ-ZWKOTPCHSA-N
MW455.97 g/mol
LogP4.02
Rot. Bonds5

About 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide

5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide (PubChem CID 11408450) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
PubChem CID11408450
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-20-13-12-19(31-20)23(30)26-18-6-2-1-5-17(18)25-22(29)15-8-10-16(11-9-15)27-14-4-3-7-21(27)28/h3-4,7-14,17-18H,1-2,5-6H2,(H,25,29)(H,26,30)/t17-,18+/m0/s1
InChIKeyKCLLJRHJUXDXSJ-ZWKOTPCHSA-N
XLogP4.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide with MolForge

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Related Compounds

Verosudil
CID 66906051
5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
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5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
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(1S,3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentanecarboxylate
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(3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 24180463
5-chloro-N-((1S,2R)-1-(4-(2-oxopyridin-1(2H)-yl)benzamido)-2,3-dihydro-1H-inden-2-yl)thiophene-2-carboxamide
CID 44434807
5-chloro-N-((1R,2S,4S)-4-(hydroxymethyl)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 44434808
N-((3R,4S)-1-acetyl-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)-5-chlorothiophene-2-carboxamide
CID 44434818
5-chloro-N-((3R,4S)-1-(2-methoxyacetyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434830
(3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide (CID 11408450) is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide is O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is KCLLJRHJUXDXSJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-20-13-12-19(31-20)23(30)26-18-6-2-1-5-17(18)25-22(29)15-8-10-16(11-9-15)27-14-4-3-7-21(27)28/h3-4,7-14,17-18H,1-2,5-6H2,(H,25,29)(H,26,30)/t17-,18+/m0/s1.
What are the key properties of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 11408450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).