N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide

C17H24N2OS — CID 61121732

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2(C(N)=S)CCC(C)CC2)cc1
InChIInChI=1S/C17H24N2OS/c1-3-13-4-6-14(7-5-13)15(20)19-17(16(18)21)10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyPBDYKUVJRJPYPJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.21
Rot. Bonds4

About N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide

N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide (PubChem CID 61121732) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
PubChem CID61121732
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2(C(N)=S)CCC(C)CC2)cc1
InChIInChI=1S/C17H24N2OS/c1-3-13-4-6-14(7-5-13)15(20)19-17(16(18)21)10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyPBDYKUVJRJPYPJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.21
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

3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-2-carboxamide
CID 61119358
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-5-methylbenzamide
CID 104851555
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide
CID 61119748
3-(1-carbamothioyl-4-methylcyclohexyl)-1,1-diethylurea
CID 79161664

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide (CID 61121732) is N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide is CCc1ccc(C(=O)NC2(C(N)=S)CCC(C)CC2)cc1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide?
The InChIKey is PBDYKUVJRJPYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-13-4-6-14(7-5-13)15(20)19-17(16(18)21)10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide has a molecular weight of 304.46 g/mol, XLogP of 3.21, 4 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)-4-ethylbenzamide is sourced from PubChem (CID 61121732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).