2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide

C14H9Cl2NO2S — CID 4266221

IUPAC2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide
SMILESO=C(NC1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)
InChIKeySBBSYDJACJBNAS-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.11
Rot. Bonds2

About 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide

2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide (PubChem CID 4266221) has the molecular formula C14H9Cl2NO2S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide
PubChem CID4266221
Molecular FormulaC14H9Cl2NO2S
Molecular Weight326.20 g/mol
Exact Mass324.97
IUPAC Name2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide
SMILESO=C(NC1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)
InChIKeySBBSYDJACJBNAS-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[(3-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 16378179
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
CID 2551480
2,4-dichloro-N-[1-[[2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-3-(methylthio)propyl]benzamide
CID 25163768
N-(2,4-Dichloro-benzyl)-2-thiophen-2-yl-acetamide
CID 975473
N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 17390892
2-chloro-N-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
CID 4779658
N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2379413
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 2742120
N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide
CID 4833383

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide (CID 4266221) is 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide is O=C(NC1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide?
The InChIKey is SBBSYDJACJBNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19).
What are the key properties of 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide?
2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide has a molecular weight of 326.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzamide is sourced from PubChem (CID 4266221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).