1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide

C17H16N2OS — CID 80593162

IUPAC1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C17H16N2OS/c18-15(21)17(10-11-17)16(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21)(H,19,20)
InChIKeyLLPKTVWHQJJVNP-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.36
Rot. Bonds4

About 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 80593162) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID80593162
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C17H16N2OS/c18-15(21)17(10-11-17)16(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21)(H,19,20)
InChIKeyLLPKTVWHQJJVNP-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide 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

1-carbamothioyl-N-[2-(difluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 80592481
1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 80589899
1-carbamothioyl-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592381
1-(2-phenylanilino)cyclopropane-1-carboxamide
CID 91156630
1-carbamothioyl-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 80591786
1-carbamothioyl-N-[2-(methoxymethyl)phenyl]cyclobutane-1-carboxamide
CID 80589984
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 80592502
1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
CID 107605680
1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
CID 80593248
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide (CID 80593162) is 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LLPKTVWHQJJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c18-15(21)17(10-11-17)16(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21)(H,19,20).
What are the key properties of 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).