5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide

C16H24ClNOS — CID 161296581

IUPAC5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C16H24ClNOS/c1-11(2)10-13(12-6-4-3-5-7-12)18-16(19)14-8-9-15(17)20-14/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyVHBBMJONKRKTSM-UHFFFAOYSA-N
MW313.89 g/mol
LogP5.13
Rot. Bonds5

About 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide

5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide (PubChem CID 161296581) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
PubChem CID161296581
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C16H24ClNOS/c1-11(2)10-13(12-6-4-3-5-7-12)18-16(19)14-8-9-15(17)20-14/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyVHBBMJONKRKTSM-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-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

5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372821
5-chloro-N-[(1S)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
CID 137372866
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373160
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide (CID 161296581) is 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide is CC(C)CC(NC(=O)c1ccc(Cl)s1)C1CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is VHBBMJONKRKTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-11(2)10-13(12-6-4-3-5-7-12)18-16(19)14-8-9-15(17)20-14/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide?
5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 313.89 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 161296581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).