N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide

C15H18F2N2OS — CID 61121738

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(F)cc2F)(C(N)=S)CC1
InChIInChI=1S/C15H18F2N2OS/c1-9-4-6-15(7-5-9,14(18)21)19-13(20)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeySPVSQTQARWFAKH-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.93
Rot. Bonds3

About N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide

N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide (PubChem CID 61121738) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
PubChem CID61121738
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(F)cc2F)(C(N)=S)CC1
InChIInChI=1S/C15H18F2N2OS/c1-9-4-6-15(7-5-9,14(18)21)19-13(20)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeySPVSQTQARWFAKH-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide 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-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64949883
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-2-methylbenzamide
CID 65307904
1-[(2,4-difluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290502
1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
CID 61123022
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide (CID 61121738) is N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide is CC1CCC(NC(=O)c2ccc(F)cc2F)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide?
The InChIKey is SPVSQTQARWFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-9-4-6-15(7-5-9,14(18)21)19-13(20)11-3-2-10(16)8-12(11)17/h2-3,8-9H,4-7H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide has a molecular weight of 312.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide is sourced from PubChem (CID 61121738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).