N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide

C24H29ClFN3OS — CID 46371665

IUPACN-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide
SMILESO=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C24H29ClFN3OS/c25-22-9-5-4-6-19(22)14-15-27-23(30)16-28-24(31)29(21-7-2-1-3-8-21)17-18-10-12-20(26)13-11-18/h4-6,9-13,21H,1-3,7-8,14-17H2,(H,27,30)(H,28,31)
InChIKeyHXOVZORWISQHHL-UHFFFAOYSA-N
MW462.03 g/mol
LogP4.85
Rot. Bonds8

About N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide

N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide (PubChem CID 46371665) has the molecular formula C24H29ClFN3OS and a molecular weight of 462.03 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide
PubChem CID46371665
Molecular FormulaC24H29ClFN3OS
Molecular Weight462.03 g/mol
Exact Mass461.17
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide
SMILESO=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C24H29ClFN3OS/c25-22-9-5-4-6-19(22)14-15-27-23(30)16-28-24(31)29(21-7-2-1-3-8-21)17-18-10-12-20(26)13-11-18/h4-6,9-13,21H,1-3,7-8,14-17H2,(H,27,30)(H,28,31)
InChIKeyHXOVZORWISQHHL-UHFFFAOYSA-N
XLogP4.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.03
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide 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-[[cyclohexyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92695641
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
CID 3417353
1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
CID 3369865
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
CID 8684133
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 86999965
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100621411
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610790
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide (CID 46371665) is N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide is O=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide?
The InChIKey is HXOVZORWISQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3OS/c25-22-9-5-4-6-19(22)14-15-27-23(30)16-28-24(31)29(21-7-2-1-3-8-21)17-18-10-12-20(26)13-11-18/h4-6,9-13,21H,1-3,7-8,14-17H2,(H,27,30)(H,28,31).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide has a molecular weight of 462.03 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide is sourced from PubChem (CID 46371665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).