N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide

C18H19N3OS — CID 46761188

IUPACN-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-12-15(20-17(22)13-10-11-13)8-5-9-16(12)21-18(23)19-14-6-3-2-4-7-14/h2-9,13H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVAPBHPRSKAZYEU-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.15
Rot. Bonds4

About N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide

N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide (PubChem CID 46761188) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
PubChem CID46761188
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-12-15(20-17(22)13-10-11-13)8-5-9-16(12)21-18(23)19-14-6-3-2-4-7-14/h2-9,13H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVAPBHPRSKAZYEU-UHFFFAOYSA-N
XLogP4.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide 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-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
1-(cyclopropanecarbonylamino)-3-phenylthiourea
CID 680998
methyl 2-methyl-3-(phenylcarbamothioylamino)benzoate
CID 971999
N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 46761550
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
2,4-dichloro-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761537
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 46761554
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide (CID 46761188) is N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide is Cc1c(NC(=O)C2CC2)cccc1NC(=S)Nc1ccccc1.
What is the InChIKey of N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is VAPBHPRSKAZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-15(20-17(22)13-10-11-13)8-5-9-16(12)21-18(23)19-14-6-3-2-4-7-14/h2-9,13H,10-11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).