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

C22H19ClFN3O3S — CID 11408532

IUPAC5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClFN3O3S/c23-19-10-9-18(31-19)22(30)26-17-5-3-4-16(17)25-21(29)14-8-7-13(12-15(14)24)27-11-2-1-6-20(27)28/h1-2,6-12,16-17H,3-5H2,(H,25,29)(H,26,30)/t16-,17+/m0/s1
InChIKeyGAEOBZJLNZSVBL-DLBZAZTESA-N
MW459.93 g/mol
LogP3.77
Rot. Bonds5

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

5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide (PubChem CID 11408532) has the molecular formula C22H19ClFN3O3S and a molecular weight of 459.93 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
PubChem CID11408532
Molecular FormulaC22H19ClFN3O3S
Molecular Weight459.93 g/mol
Exact Mass459.08
IUPAC Name5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C22H19ClFN3O3S/c23-19-10-9-18(31-19)22(30)26-17-5-3-4-16(17)25-21(29)14-8-7-13(12-15(14)24)27-11-2-1-6-20(27)28/h1-2,6-12,16-17H,3-5H2,(H,25,29)(H,26,30)/t16-,17+/m0/s1
InChIKeyGAEOBZJLNZSVBL-DLBZAZTESA-N
XLogP3.77
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
(S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamido)-2-oxopyrrolidin-1-yl)-3-fluoro-N-methylbenzamide
CID 46226323
4-[(3s)-3-({[(E)-2-(5-Chlorothiophen-2-Yl)ethenyl]sulfonyl}amino)-2-Oxopyrrolidin-1-Yl]-3-Fluoro-N,N-Dimethylbenzamide
CID 46226324
(1S,3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentanecarboxylate
CID 11294993
(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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide (CID 11408532) is 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide is O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide?
The InChIKey is GAEOBZJLNZSVBL-DLBZAZTESA-N. The full InChI is InChI=1S/C22H19ClFN3O3S/c23-19-10-9-18(31-19)22(30)26-17-5-3-4-16(17)25-21(29)14-8-7-13(12-15(14)24)27-11-2-1-6-20(27)28/h1-2,6-12,16-17H,3-5H2,(H,25,29)(H,26,30)/t16-,17+/m0/s1.
What are the key properties of 5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 3.77, 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-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 11408532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).