N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide

C14H19NO3S — CID 47156970

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO3S/c1-11-4-2-3-5-13(11)8-14(16)15-9-12-6-7-19(17,18)10-12/h2-5,12H,6-10H2,1H3,(H,15,16)
InChIKeyAALMRLYKKIGPQM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.09
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 47156970) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID47156970
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO3S/c1-11-4-2-3-5-13(11)8-14(16)15-9-12-6-7-19(17,18)10-12/h2-5,12H,6-10H2,1H3,(H,15,16)
InChIKeyAALMRLYKKIGPQM-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)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

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
2-[[(3S)-1,1-dioxothiolan-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 95775435
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8736814
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 94021918
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006633
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide
CID 94216251
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylsulfanylacetamide
CID 47156935
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1R)-2-methyl-1-(2-methylphenyl)propyl]urea
CID 95341993

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide (CID 47156970) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is AALMRLYKKIGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11-4-2-3-5-13(11)8-14(16)15-9-12-6-7-19(17,18)10-12/h2-5,12H,6-10H2,1H3,(H,15,16).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 47156970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).