2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H12ClFN2O2S — CID 2087167

IUPAC2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCC2
InChIInChI=1S/C15H12ClFN2O2S/c16-10-6-7(17)4-5-8(10)14(21)19-15-12(13(18)20)9-2-1-3-11(9)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21)
InChIKeyNQDIRJYKXCNFIV-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2087167) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID2087167
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCC2
InChIInChI=1S/C15H12ClFN2O2S/c16-10-6-7(17)4-5-8(10)14(21)19-15-12(13(18)20)9-2-1-3-11(9)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21)
InChIKeyNQDIRJYKXCNFIV-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
CID 71457677
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 724880
2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(2-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723141
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 702148
2-[(2-cyano-3-phenylacryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 711961
2-[(2-Fluorobenzoyl)amino]-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamide
CID 873021
4-(2,4-Dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide
CID 1245647
N-(2-chlorophenyl)-2-[(phenylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3346576

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2087167) is 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCC2.
What is the InChIKey of 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is NQDIRJYKXCNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c16-10-6-7(17)4-5-8(10)14(21)19-15-12(13(18)20)9-2-1-3-11(9)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2087167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).