N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide

C12H13NO3S — CID 4223254

IUPACN-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCOC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-8(14)13-9-2-4-10(5-3-9)17-11-6-7-16-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,14)
InChIKeyYQIARUAQVBNMFQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.05
Rot. Bonds3

About N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide

N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide (PubChem CID 4223254) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide
PubChem CID4223254
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCOC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-8(14)13-9-2-4-10(5-3-9)17-11-6-7-16-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,14)
InChIKeyYQIARUAQVBNMFQ-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetate
CID 2778792
S-(4-acetamidophenyl) ethanethioate
CID 247471
4'-(Methylthio)acetanilide
CID 289475
Carboxin M6
CID 11129280
Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
CID 651862
N-[4-(methylthio)phenyl]-3-oxobutanamide
CID 765667
ethyl (E)-3-(4-acetamidophenyl)sulfonylprop-2-enoate
CID 1625575
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] pentanoate
CID 2449742
2-(4-acetamidophenyl)sulfanylacetic Acid
CID 3761687
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
CID 2387371
4-(2-Anilino-2-oxoethyl)sulfanylbutanoic acid
CID 1811563
3-(4-Acetylamino-benzenesulfonyl)-propionic acid
CID 3090413

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide (CID 4223254) is N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC2CCOC2=O)cc1.
What is the InChIKey of N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide?
The InChIKey is YQIARUAQVBNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8(14)13-9-2-4-10(5-3-9)17-11-6-7-16-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide?
N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 4223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).