N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide

C16H22N2OS — CID 61121408

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccccc2)(C(N)=S)CC1
InChIInChI=1S/C16H22N2OS/c1-2-12-8-10-16(11-9-12,15(17)20)18-14(19)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,20)(H,18,19)
InChIKeyMUISJYSXAAXRKI-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.04
Rot. Bonds4

About N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide

N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide (PubChem CID 61121408) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
PubChem CID61121408
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccccc2)(C(N)=S)CC1
InChIInChI=1S/C16H22N2OS/c1-2-12-8-10-16(11-9-12,15(17)20)18-14(19)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,20)(H,18,19)
InChIKeyMUISJYSXAAXRKI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61120816
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)furan-3-carboxamide
CID 106852172
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
CID 104638557
N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide (CID 61121408) is N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide is CCC1CCC(NC(=O)c2ccccc2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide?
The InChIKey is MUISJYSXAAXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-12-8-10-16(11-9-12,15(17)20)18-14(19)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide has a molecular weight of 290.43 g/mol, XLogP of 3.04, 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-ethylcyclohexyl)benzamide is sourced from PubChem (CID 61121408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).