2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide

C17H26N2OS — CID 79128184

IUPAC2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1cccc(N)c1C)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c1-3-19(14-8-5-4-6-9-14)17(20)12-21-16-11-7-10-15(18)13(16)2/h7,10-11,14H,3-6,8-9,12,18H2,1-2H3
InChIKeyLKZRZKSGPCEXSQ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.85
Rot. Bonds5

About 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide

2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide (PubChem CID 79128184) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
PubChem CID79128184
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1cccc(N)c1C)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c1-3-19(14-8-5-4-6-9-14)17(20)12-21-16-11-7-10-15(18)13(16)2/h7,10-11,14H,3-6,8-9,12,18H2,1-2H3
InChIKeyLKZRZKSGPCEXSQ-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 79130628
N-cyclopentyl-N-ethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 134060793
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
2-(3-amino-2-methylphenyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 79144580
N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
CID 23791491
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 47143139
2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 7770078
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 7043230
N-cyclohexyl-N-ethyl-2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4835788
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide (CID 79128184) is 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CSc1cccc(N)c1C)C1CCCCC1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The InChIKey is LKZRZKSGPCEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-19(14-8-5-4-6-9-14)17(20)12-21-16-11-7-10-15(18)13(16)2/h7,10-11,14H,3-6,8-9,12,18H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide has a molecular weight of 306.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 79128184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).