3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide

C16H20Cl2N2OS — CID 46223569

IUPAC3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
SMILESCNC(=S)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2OS/c1-19-16(22)20-15(21)12(8-10-4-2-3-5-10)11-6-7-13(17)14(18)9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H2,19,20,21,22)
InChIKeySXALTAXBVRBHJS-UHFFFAOYSA-N
MW359.32 g/mol
LogP4.28
Rot. Bonds4

About 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide

3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide (PubChem CID 46223569) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
PubChem CID46223569
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
SMILESCNC(=S)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2OS/c1-19-16(22)20-15(21)12(8-10-4-2-3-5-10)11-6-7-13(17)14(18)9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H2,19,20,21,22)
InChIKeySXALTAXBVRBHJS-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)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-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
CID 18626628
methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
CID 151469580
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,2,4-triazin-3-yl)propanamide;methane
CID 161265975
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide
CID 142018491
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-2-ylpropanamide
CID 22315196
[4-[3-cyclopentyl-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-2-nitrophenyl]methanesulfinic acid
CID 174372420
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
1-[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]-1-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]-(methylcarbamoyl)amino]-3-methylurea
CID 67486721

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide (CID 46223569) is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide is CNC(=S)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide?
The InChIKey is SXALTAXBVRBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2OS/c1-19-16(22)20-15(21)12(8-10-4-2-3-5-10)11-6-7-13(17)14(18)9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H2,19,20,21,22).
What are the key properties of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide?
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide has a molecular weight of 359.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide is sourced from PubChem (CID 46223569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).