2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide

C13H19NO3S — CID 97238910

IUPAC2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)C[S@@](=O)CCO
InChIInChI=1S/C13H19NO3S/c1-11-4-2-3-5-12(11)6-7-14-13(16)10-18(17)9-8-15/h2-5,15H,6-10H2,1H3,(H,14,16)/t18-/m0/s1
InChIKeyGZNFSOOXHIIDGQ-SFHVURJKSA-N
MW269.37 g/mol
LogP0.39
Rot. Bonds7

About 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 97238910) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID97238910
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)C[S@@](=O)CCO
InChIInChI=1S/C13H19NO3S/c1-11-4-2-3-5-12(11)6-7-14-13(16)10-18(17)9-8-15/h2-5,15H,6-10H2,1H3,(H,14,16)/t18-/m0/s1
InChIKeyGZNFSOOXHIIDGQ-SFHVURJKSA-N
XLogP0.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(2-methylphenyl)methylsulfinyl]-N-propylacetamide
CID 94800532
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 47010786
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-amino-3-hydroxyimino-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756212
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 97238910) is 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)C[S@@](=O)CCO.
What is the InChIKey of 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is GZNFSOOXHIIDGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-4-2-3-5-12(11)6-7-14-13(16)10-18(17)9-8-15/h2-5,15H,6-10H2,1H3,(H,14,16)/t18-/m0/s1.
What are the key properties of 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 97238910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).