2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide

C12H17NO3S — CID 79682862

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(O)CO)cc1
InChIInChI=1S/C12H17NO3S/c1-9-2-4-10(5-3-9)13-12(16)8-17-7-11(15)6-14/h2-5,11,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyACWBYBUJFWCVPN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.02
Rot. Bonds6

About 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide (PubChem CID 79682862) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
PubChem CID79682862
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(O)CO)cc1
InChIInChI=1S/C12H17NO3S/c1-9-2-4-10(5-3-9)13-12(16)8-17-7-11(15)6-14/h2-5,11,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyACWBYBUJFWCVPN-UHFFFAOYSA-N
XLogP1.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
CID 79682094
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104887
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide (CID 79682862) is 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(O)CO)cc1.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide?
The InChIKey is ACWBYBUJFWCVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-2-4-10(5-3-9)13-12(16)8-17-7-11(15)6-14/h2-5,11,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 79682862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).