2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide

C16H24N2O2S — CID 119343736

IUPAC2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
SMILESCCS(=O)C1CCCC(NC(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21(20)14-10-6-9-13(11-14)18-16(19)15(17)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19)
InChIKeyZFKMXXGOBYWBER-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide

2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide (PubChem CID 119343736) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
PubChem CID119343736
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
SMILESCCS(=O)C1CCCC(NC(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21(20)14-10-6-9-13(11-14)18-16(19)15(17)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19)
InChIKeyZFKMXXGOBYWBER-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
2-amino-N-(3-hydroxycyclohexyl)-2-phenylacetamide
CID 43696117
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(2-phenylbutyl)guanidine;hydroiodide
CID 109437020
1-[2-(diethylamino)-2-phenylethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436953
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 109437396
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
1-[(2-ethylphenyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437467

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide (CID 119343736) is 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide is CCS(=O)C1CCCC(NC(=O)C(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide?
The InChIKey is ZFKMXXGOBYWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-21(20)14-10-6-9-13(11-14)18-16(19)15(17)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide?
2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide has a molecular weight of 308.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide is sourced from PubChem (CID 119343736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).