2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide

C17H24N2OS — CID 63591247

IUPAC2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C17H24N2OS/c1-2-13-5-3-4-6-15(13)19-16(20)11-12-7-9-14(10-8-12)17(18)21/h7-10,13,15H,2-6,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAJSYTRTZZHKWQZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide

2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide (PubChem CID 63591247) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
PubChem CID63591247
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C17H24N2OS/c1-2-13-5-3-4-6-15(13)19-16(20)11-12-7-9-14(10-8-12)17(18)21/h7-10,13,15H,2-6,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAJSYTRTZZHKWQZ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.95
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

4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
CID 63591386
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide (CID 63591247) is 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide is CCC1CCCCC1NC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide?
The InChIKey is AJSYTRTZZHKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-13-5-3-4-6-15(13)19-16(20)11-12-7-9-14(10-8-12)17(18)21/h7-10,13,15H,2-6,11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide?
2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide is sourced from PubChem (CID 63591247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).