N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide

C20H15ClN2O2S — CID 56971355

IUPACN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24)
InChIKeyOQUJWJFMGGZRHZ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.14
Rot. Bonds3

About N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide (PubChem CID 56971355) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
PubChem CID56971355
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24)
InChIKeyOQUJWJFMGGZRHZ-UHFFFAOYSA-N
XLogP5.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-2-[2-(2-oxopropyl)-4-pyridinyl]-5,6-dihydro-4H-1-benzothiophen-7-one
CID 158226895
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
CID 58094790
N-[4-[4-[1-(4-chlorophenyl)-4-(dimethylamino)but-1-enyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide
CID 77409425
N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide
CID 90320800
N-[4-[4-[(4-chlorophenyl)methyl]-3-cyano-5-formylthiophen-2-yl]-2-pyridinyl]acetamide
CID 88589409
N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
CID 99647046
4-(4-chlorophenyl)-4,5-dimethyl-2-pyridin-4-yl-8H-thieno[2,3-b]azepin-7-one;4-(4-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one;4-(4-chlorophenyl)-2-[2-(2-oxopropyl)-4-pyridinyl]-4,5-dihydrocyclopenta[b]thiophen-6-one;(NZ)-N-[4-(4-chlorophenyl)-2-pyridin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-ylidene]hydroxylamine;4-(4-chlorophenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[b]thiophen-8-one
CID 172958264
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
CID 121363350
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide
CID 70662079

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide (CID 56971355) is N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The InChIKey is OQUJWJFMGGZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24).
What are the key properties of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 56971355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).