5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide

C21H19ClN4O3S — CID 157373957

IUPAC5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClN4O3S/c22-18-9-8-17(30-18)21(29)25-16-3-1-2-15(16)20(28)24-13-4-6-14(7-5-13)26-11-10-23-12-19(26)27/h4-12,15-16H,1-3H2,(H,24,28)(H,25,29)/t15-,16+/m0/s1
InChIKeyBKCFPDDJANPIAF-JKSUJKDBSA-N
MW442.93 g/mol
LogP3.48
Rot. Bonds5

About 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide

5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide (PubChem CID 157373957) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
PubChem CID157373957
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClN4O3S/c22-18-9-8-17(30-18)21(29)25-16-3-1-2-15(16)20(28)24-13-4-6-14(7-5-13)26-11-10-23-12-19(26)27/h4-12,15-16H,1-3H2,(H,24,28)(H,25,29)/t15-,16+/m0/s1
InChIKeyBKCFPDDJANPIAF-JKSUJKDBSA-N
XLogP3.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-chloro-N-[(3R,4S)-1-methyl-4-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 159112847
5-chloro-N-[2-[[4-(2-oxopyrazin-1-yl)phenyl]sulfamoyl]ethyl]thiophene-2-carboxamide
CID 134154940
(3R,4S)-1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
CID 18453015
(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
CID 68683077
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
CID 72981087
1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
CID 66593440
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(cyanomethyl)-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 87677680
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide (CID 157373957) is 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide is O=C(N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The InChIKey is BKCFPDDJANPIAF-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c22-18-9-8-17(30-18)21(29)25-16-3-1-2-15(16)20(28)24-13-4-6-14(7-5-13)26-11-10-23-12-19(26)27/h4-12,15-16H,1-3H2,(H,24,28)(H,25,29)/t15-,16+/m0/s1.
What are the key properties of 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide has a molecular weight of 442.93 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 157373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).