2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide

C15H22N2OS — CID 119945966

IUPAC2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
SMILESCCSC1CCCC(NC(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2OS/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18)
InChIKeyNWMNISROFJXEEF-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide

2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide (PubChem CID 119945966) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
PubChem CID119945966
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
SMILESCCSC1CCCC(NC(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2OS/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18)
InChIKeyNWMNISROFJXEEF-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 120611790
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
CID 119947270
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide?
The IUPAC name of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide (CID 119945966) is 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide is CCSC1CCCC(NC(=O)c2ccccc2N)C1.
What is the InChIKey of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide?
The InChIKey is NWMNISROFJXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide?
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide has a molecular weight of 278.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide is sourced from PubChem (CID 119945966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).