N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide

C18H19N3O2S — CID 916922

IUPACN-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-13(22)19-15-8-10-16(11-9-15)20-18(24)21-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyYQDRHCJVLSVEIO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide

N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide (PubChem CID 916922) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
PubChem CID916922
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-13(22)19-15-8-10-16(11-9-15)20-18(24)21-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyYQDRHCJVLSVEIO-UHFFFAOYSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
CID 4958273
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 19187874
3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
CID 1302092
N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 43887903
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
N-[(3-bromophenyl)carbamothioyl]-3-phenylpropanamide
CID 2226419
2,2-dimethyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17204688

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide (CID 916922) is N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide is CC(=O)Nc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide?
The InChIKey is YQDRHCJVLSVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(22)19-15-8-10-16(11-9-15)20-18(24)21-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide?
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide is sourced from PubChem (CID 916922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).