2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide

C11H15NO3S — CID 97340010

IUPAC2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@@](=O)CCO)cc1
InChIInChI=1S/C11H15NO3S/c1-9-2-4-10(5-3-9)12-11(14)8-16(15)7-6-13/h2-5,13H,6-8H2,1H3,(H,12,14)/t16-/m0/s1
InChIKeyTYGJJYRMLCOFHX-INIZCTEOSA-N
MW241.31 g/mol
LogP0.67
Rot. Bonds5

About 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide

2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 97340010) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID97340010
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@@](=O)CCO)cc1
InChIInChI=1S/C11H15NO3S/c1-9-2-4-10(5-3-9)12-11(14)8-16(15)7-6-13/h2-5,13H,6-8H2,1H3,(H,12,14)/t16-/m0/s1
InChIKeyTYGJJYRMLCOFHX-INIZCTEOSA-N
XLogP0.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
2-[2-(4-methylanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883354
N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
CID 3529063
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-[(S)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 11902759
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 42953973
2-butylsulfinyl-N-(4-cyanophenyl)acetamide
CID 64692326
N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide
CID 54179584
2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide
CID 123117396
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide (CID 97340010) is 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[S@@](=O)CCO)cc1.
What is the InChIKey of 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is TYGJJYRMLCOFHX-INIZCTEOSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-2-4-10(5-3-9)12-11(14)8-16(15)7-6-13/h2-5,13H,6-8H2,1H3,(H,12,14)/t16-/m0/s1.
What are the key properties of 2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 241.31 g/mol, XLogP of 0.67, 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 97340010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).