4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide

C16H22N2OS — CID 63999184

IUPAC4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(C(N)=S)cc2)C(C)C1
InChIInChI=1S/C16H22N2OS/c1-10-3-8-14(11(2)9-10)18-16(19)13-6-4-12(5-7-13)15(17)20/h4-7,10-11,14H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyWKVQTDHEHVFZPB-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.88
Rot. Bonds3

About 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide

4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide (PubChem CID 63999184) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
PubChem CID63999184
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(C(N)=S)cc2)C(C)C1
InChIInChI=1S/C16H22N2OS/c1-10-3-8-14(11(2)9-10)18-16(19)13-6-4-12(5-7-13)15(17)20/h4-7,10-11,14H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyWKVQTDHEHVFZPB-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982
N-(2,5-dimethylcyclohexyl)-4-iodobenzamide
CID 4265183
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
N-(2,4-dimethylcyclohexyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63999016
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
3-(chloromethyl)-N-(2,4-dimethylcyclohexyl)benzamide
CID 63995699

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide (CID 63999184) is 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(C(N)=S)cc2)C(C)C1.
What is the InChIKey of 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide?
The InChIKey is WKVQTDHEHVFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-3-8-14(11(2)9-10)18-16(19)13-6-4-12(5-7-13)15(17)20/h4-7,10-11,14H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide?
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide has a molecular weight of 290.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 63999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).