N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide

C12H17NO3S — CID 170829588

IUPACN-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
SMILESCSc1ccccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C12H17NO3S/c1-8(14)13-7-10(15)12(16)9-5-3-4-6-11(9)17-2/h3-6,10,12,15-16H,7H2,1-2H3,(H,13,14)
InChIKeyZHIYKZIIXUXQHC-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.94
Rot. Bonds5

About N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide

N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide (PubChem CID 170829588) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
PubChem CID170829588
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
SMILESCSc1ccccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C12H17NO3S/c1-8(14)13-7-10(15)12(16)9-5-3-4-6-11(9)17-2/h3-6,10,12,15-16H,7H2,1-2H3,(H,13,14)
InChIKeyZHIYKZIIXUXQHC-UHFFFAOYSA-N
XLogP0.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]carbamate
CID 170831645
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[3-(2-ethynylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831357
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
methyl 3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoate
CID 170830610
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
4-(methylamino)-1-(2-methylsulfanylphenyl)butane-1,2-diol
CID 171889747

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide (CID 170829588) is N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide is CSc1ccccc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide?
The InChIKey is ZHIYKZIIXUXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(14)13-7-10(15)12(16)9-5-3-4-6-11(9)17-2/h3-6,10,12,15-16H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide is sourced from PubChem (CID 170829588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).