N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide

C16H22N2OS — CID 62955876

IUPACN-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCCC2C(N)=S)cc1
InChIInChI=1S/C16H22N2OS/c1-11-5-7-12(8-6-11)9-10-15(19)18-14-4-2-3-13(14)16(17)20/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyVDPCNABIDIWXCV-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.50
Rot. Bonds5

About N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide

N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide (PubChem CID 62955876) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
PubChem CID62955876
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCCC2C(N)=S)cc1
InChIInChI=1S/C16H22N2OS/c1-11-5-7-12(8-6-11)9-10-15(19)18-14-4-2-3-13(14)16(17)20/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyVDPCNABIDIWXCV-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide 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-(2-carbamothioylcyclopentyl)-3-(4-methoxyphenyl)propanamide
CID 62956927
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
CID 62955874
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
CID 113382161
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide (CID 62955876) is N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC2CCCC2C(N)=S)cc1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide?
The InChIKey is VDPCNABIDIWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-5-7-12(8-6-11)9-10-15(19)18-14-4-2-3-13(14)16(17)20/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide?
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide has a molecular weight of 290.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 62955876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).