N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide

C18H23NOS — CID 42955855

IUPACN-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)C1CC=CCC1
InChIInChI=1S/C18H23NOS/c20-18(14-6-2-1-3-7-14)19-15-10-12-17(13-11-15)21-16-8-4-5-9-16/h1-2,10-14,16H,3-9H2,(H,19,20)
InChIKeyWAJGJNFUFYTMBD-UHFFFAOYSA-N
MW301.45 g/mol
LogP5.02
Rot. Bonds4

About N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide

N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 42955855) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID42955855
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)C1CC=CCC1
InChIInChI=1S/C18H23NOS/c20-18(14-6-2-1-3-7-14)19-15-10-12-17(13-11-15)21-16-8-4-5-9-16/h1-2,10-14,16H,3-9H2,(H,19,20)
InChIKeyWAJGJNFUFYTMBD-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-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

N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide (CID 42955855) is N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(SC2CCCC2)cc1)C1CC=CCC1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WAJGJNFUFYTMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c20-18(14-6-2-1-3-7-14)19-15-10-12-17(13-11-15)21-16-8-4-5-9-16/h1-2,10-14,16H,3-9H2,(H,19,20).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide?
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 301.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42955855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).