N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide

C16H23NO2S — CID 97228059

IUPACN-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)c1ccccc1)NCCC1CCCCC1
InChIInChI=1S/C16H23NO2S/c18-16(13-20(19)15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,17,18)/t20-/m1/s1
InChIKeyAMLLTUBDQBBHQB-HXUWFJFHSA-N
MW293.43 g/mol
LogP2.88
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide

N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide (PubChem CID 97228059) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
PubChem CID97228059
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)c1ccccc1)NCCC1CCCCC1
InChIInChI=1S/C16H23NO2S/c18-16(13-20(19)15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,17,18)/t20-/m1/s1
InChIKeyAMLLTUBDQBBHQB-HXUWFJFHSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10214815
trans-N-cyanomethyl-2-(4-methylsulfanylbenzenesulfonylmethyl)cyclohexanecarboxamide
CID 11624809
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-butyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886275
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide (CID 97228059) is N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide is O=C(C[S@@](=O)c1ccccc1)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide?
The InChIKey is AMLLTUBDQBBHQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-16(13-20(19)15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,17,18)/t20-/m1/s1.
What are the key properties of N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide?
N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide is sourced from PubChem (CID 97228059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).