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

C10H11ClN2O2S — CID 3518628

IUPAC2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CCl)sc2c1CCC2
InChIInChI=1S/C10H11ClN2O2S/c11-4-7(14)13-10-8(9(12)15)5-2-1-3-6(5)16-10/h1-4H2,(H2,12,15)(H,13,14)
InChIKeyALPHKUSWEDXBQI-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.51
Rot. Bonds3

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

2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3518628) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3518628
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CCl)sc2c1CCC2
InChIInChI=1S/C10H11ClN2O2S/c11-4-7(14)13-10-8(9(12)15)5-2-1-3-6(5)16-10/h1-4H2,(H2,12,15)(H,13,14)
InChIKeyALPHKUSWEDXBQI-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 678521
2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3000134
2-({[(2,2-dimethylpropanoyl)amino]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 888575
2-{[(butyrylamino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1718389
2-isobutyramido-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475023
2-(Acetylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2931986
2-(Cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1222492
2-(pentanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2941851
2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3153446
2-[(Chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3671991
Sbb029873
CID 699491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3518628) is 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)CCl)sc2c1CCC2.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ALPHKUSWEDXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-4-7(14)13-10-8(9(12)15)5-2-1-3-6(5)16-10/h1-4H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 258.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3518628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).