N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide

C16H17N3OS — CID 19678459

IUPACN-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3OS/c1-11-6-8-13(9-7-11)18-16(21)19-15-5-3-4-14(10-15)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyFCIGIIUIKLVSBM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.76
Rot. Bonds3

About N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide

N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide (PubChem CID 19678459) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
PubChem CID19678459
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=S)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3OS/c1-11-6-8-13(9-7-11)18-16(21)19-15-5-3-4-14(10-15)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyFCIGIIUIKLVSBM-UHFFFAOYSA-N
XLogP3.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]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

N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
N-(4-methylphenyl)acetamide
CID 7684
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(3-methylphenyl)acetamide
CID 10843
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678469
N-phenylacetamide;toluene
CID 175205531
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(9,10-dioxoanthracen-2-yl)-3-(4-methylphenyl)thiourea
CID 118133668
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
2-[4-[(3-methylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649080
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide (CID 19678459) is N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=S)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide?
The InChIKey is FCIGIIUIKLVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-6-8-13(9-7-11)18-16(21)19-15-5-3-4-14(10-15)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide?
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 19678459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).