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

C13H19NO3S — CID 79683189

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(O)CO)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-3-4-11(5-10(9)2)14-13(17)8-18-7-12(16)6-15/h3-5,12,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyZBOPAMPKTJYZLM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.33
Rot. Bonds6

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

2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 79683189) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID79683189
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(O)CO)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-3-4-11(5-10(9)2)14-13(17)8-18-7-12(16)6-15/h3-5,12,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyZBOPAMPKTJYZLM-UHFFFAOYSA-N
XLogP1.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 6952062
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
CID 55443480
propan-2-yl 4-[[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732140
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
CID 79682094
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
ethyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-3-oxobutanoate
CID 28697785
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907359
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide (CID 79683189) is 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(O)CO)cc1C.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZBOPAMPKTJYZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-3-4-11(5-10(9)2)14-13(17)8-18-7-12(16)6-15/h3-5,12,15-16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.33, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 79683189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).