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

C18H19ClN2O3S — CID 71461257

IUPAC2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C18H19ClN2O3S/c1-24-10-9-20-17(23)15-12-6-4-8-14(12)25-18(15)21-16(22)11-5-2-3-7-13(11)19/h2-3,5,7H,4,6,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLBWNGSFQCGZGLQ-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.52
Rot. Bonds6

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

2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 71461257) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID71461257
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2
InChIInChI=1S/C18H19ClN2O3S/c1-24-10-9-20-17(23)15-12-6-4-8-14(12)25-18(15)21-16(22)11-5-2-3-7-13(11)19/h2-3,5,7H,4,6,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLBWNGSFQCGZGLQ-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 71461257) is 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is COCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is LBWNGSFQCGZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-24-10-9-20-17(23)15-12-6-4-8-14(12)25-18(15)21-16(22)11-5-2-3-7-13(11)19/h2-3,5,7H,4,6,8-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 71461257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).