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

C15H13ClN2O2S — CID 702148

IUPAC2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C15H13ClN2O2S/c16-10-6-2-1-4-8(10)14(20)18-15-12(13(17)19)9-5-3-7-11(9)21-15/h1-2,4,6H,3,5,7H2,(H2,17,19)(H,18,20)
InChIKeyPVBDFIKTSBQFOY-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.24
Rot. Bonds3

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

2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 702148) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID702148
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C15H13ClN2O2S/c16-10-6-2-1-4-8(10)14(20)18-15-12(13(17)19)9-5-3-7-11(9)21-15/h1-2,4,6H,3,5,7H2,(H2,17,19)(H,18,20)
InChIKeyPVBDFIKTSBQFOY-UHFFFAOYSA-N
XLogP3.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.24
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-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2087167
2-(Carbamoylamino)-5-[2-(2-chlorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137994
2-[(2E)-2-Cyano-3-phenylprop-2-enamido]-4H,5H,6H-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 702148) is 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is PVBDFIKTSBQFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-10-6-2-1-4-8(10)14(20)18-15-12(13(17)19)9-5-3-7-11(9)21-15/h1-2,4,6H,3,5,7H2,(H2,17,19)(H,18,20).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 320.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 702148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).