N-(4-carbamothioylphenyl)-4-phenylbutanamide

C17H18N2OS — CID 28939713

IUPACN-(4-carbamothioylphenyl)-4-phenylbutanamide
SMILESNC(=S)c1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H2,18,21)(H,19,20)
InChIKeyFSSAUDQHBWUDEQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.28
Rot. Bonds6

About N-(4-carbamothioylphenyl)-4-phenylbutanamide

N-(4-carbamothioylphenyl)-4-phenylbutanamide (PubChem CID 28939713) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-phenylbutanamide
PubChem CID28939713
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(4-carbamothioylphenyl)-4-phenylbutanamide
SMILESNC(=S)c1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H2,18,21)(H,19,20)
InChIKeyFSSAUDQHBWUDEQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioylphenyl)-4-phenylbutanamide 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

4-(3-phenylpropanoylamino)benzamide
CID 675903
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
CID 82032013
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-phenylbutanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-phenylbutanamide (CID 28939713) is N-(4-carbamothioylphenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-phenylbutanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-phenylbutanamide is NC(=S)c1ccc(NC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-phenylbutanamide?
The InChIKey is FSSAUDQHBWUDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H2,18,21)(H,19,20).
What are the key properties of N-(4-carbamothioylphenyl)-4-phenylbutanamide?
N-(4-carbamothioylphenyl)-4-phenylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 28939713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).