4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide

C16H22N2OS — CID 47355548

IUPAC4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H22N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h7-11,14H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyLMIBKURTKQLHBS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.02
Rot. Bonds4

About 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide

4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide (PubChem CID 47355548) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
PubChem CID47355548
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H22N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h7-11,14H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyLMIBKURTKQLHBS-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.02
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

2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
CID 63591247
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
CID 63213551
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-(2-ethylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040337

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide (CID 47355548) is 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide is CCC1CCCCC1NC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide?
The InChIKey is LMIBKURTKQLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h7-11,14H,2-6H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide?
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide has a molecular weight of 290.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide is sourced from PubChem (CID 47355548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).