3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide

C19H20ClN3O2S — CID 17205269

IUPAC3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-2-17(24)21-14-8-10-15(11-9-14)22-19(26)23-18(25)12-7-13-5-3-4-6-16(13)20/h3-6,8-11H,2,7,12H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyBUQUDMUSXJXPKD-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.13
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide

3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide (PubChem CID 17205269) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide
PubChem CID17205269
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-2-17(24)21-14-8-10-15(11-9-14)22-19(26)23-18(25)12-7-13-5-3-4-6-16(13)20/h3-6,8-11H,2,7,12H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyBUQUDMUSXJXPKD-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]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-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methylpropanamide
CID 17188117
propyl 4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzoate
CID 17179261
N-butyl-4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide
CID 17195445
3-(2-chlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 17179387
N-[(3-acetylphenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide
CID 17179278
N-[3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methylpropanamide
CID 17189419
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432
N-butyl-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide
CID 17197318
3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]propanamide
CID 17179421
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
2-methyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 17099678
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide (CID 17205269) is 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide is CCC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide?
The InChIKey is BUQUDMUSXJXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-2-17(24)21-14-8-10-15(11-9-14)22-19(26)23-18(25)12-7-13-5-3-4-6-16(13)20/h3-6,8-11H,2,7,12H2,1H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide?
3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide has a molecular weight of 389.91 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 17205269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).