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

C13H19NO3S — CID 79682094

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(O)CO)c1C
InChIInChI=1S/C13H19NO3S/c1-9-4-3-5-12(10(9)2)14-13(17)8-18-7-11(16)6-15/h3-5,11,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyQHRNFFPPUFRSPK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.33
Rot. Bonds6

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

2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 79682094) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID79682094
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(O)CO)c1C
InChIInChI=1S/C13H19NO3S/c1-9-4-3-5-12(10(9)2)14-13(17)8-18-7-11(16)6-15/h3-5,11,15-16H,6-8H2,1-2H3,(H,14,17)
InChIKeyQHRNFFPPUFRSPK-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-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 864327
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 66229045
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
2-(2,3-dihydroxypropylsulfanyl)-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 79682658
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
CID 66170580
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide (CID 79682094) is 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(O)CO)c1C.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QHRNFFPPUFRSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-4-3-5-12(10(9)2)14-13(17)8-18-7-11(16)6-15/h3-5,11,15-16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 79682094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).