N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide

C18H18ClNO3S — CID 75404406

IUPACN-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C18H18ClNO3S/c1-10(23-2)17(22)20-18-15(13-4-3-5-14(13)24-18)16(21)11-6-8-12(19)9-7-11/h6-10H,3-5H2,1-2H3,(H,20,22)
InChIKeyNSMQFKWYOAFMND-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.09
Rot. Bonds5

About N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide

N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide (PubChem CID 75404406) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide
PubChem CID75404406
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC NameN-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C18H18ClNO3S/c1-10(23-2)17(22)20-18-15(13-4-3-5-14(13)24-18)16(21)11-6-8-12(19)9-7-11/h6-10H,3-5H2,1-2H3,(H,20,22)
InChIKeyNSMQFKWYOAFMND-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide 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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxypropanamide
CID 113225461
2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3744339
methyl 2-[2-(2,6-dimethylphenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4958470
methyl 2-[2-(2-methylphenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4931539
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 902348
(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide
CID 97011801
ethyl 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7157580
methyl 2-[[(2S)-2-chloropropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7063336
methyl 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7543956
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1293750
methyl 2-[[4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3374203

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide?
The IUPAC name of N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide (CID 75404406) is N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide.
What is the SMILES notation for N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide?
The canonical SMILES for N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide is COC(C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2.
What is the InChIKey of N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide?
The InChIKey is NSMQFKWYOAFMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-10(23-2)17(22)20-18-15(13-4-3-5-14(13)24-18)16(21)11-6-8-12(19)9-7-11/h6-10H,3-5H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide?
N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide has a molecular weight of 363.87 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-methoxypropanamide is sourced from PubChem (CID 75404406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).