4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide

C17H24ClN3O2S — CID 110813840

IUPAC4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc(Cl)s1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O2S/c18-15-7-6-14(24-15)12-16(22)20-8-3-9-21(11-10-20)17(23)19-13-4-1-2-5-13/h6-7,13H,1-5,8-12H2,(H,19,23)
InChIKeyIICIVTXMBCGYND-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.13
Rot. Bonds3

About 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide

4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide (PubChem CID 110813840) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
PubChem CID110813840
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc(Cl)s1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O2S/c18-15-7-6-14(24-15)12-16(22)20-8-3-9-21(11-10-20)17(23)19-13-4-1-2-5-13/h6-7,13H,1-5,8-12H2,(H,19,23)
InChIKeyIICIVTXMBCGYND-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide 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

2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
N-tert-butyl-4-[2-(5-chlorothiophen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813839
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813453
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813837
4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 110813448
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
CID 110767679
2-(5-chlorothiophen-2-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816949
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide (CID 110813840) is 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide is O=C(Cc1ccc(Cl)s1)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The InChIKey is IICIVTXMBCGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c18-15-7-6-14(24-15)12-16(22)20-8-3-9-21(11-10-20)17(23)19-13-4-1-2-5-13/h6-7,13H,1-5,8-12H2,(H,19,23).
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).