2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide

C19H19NO4S — CID 7173985

IUPAC2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c1-20(15-11-12-25(23,24)13-15)19(22)17-10-6-5-9-16(17)18(21)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1
InChIKeyHHRYTQRDSNUPPZ-HNNXBMFYSA-N
MW357.43 g/mol
LogP2.18
Rot. Bonds4

About 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide

2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide (PubChem CID 7173985) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
PubChem CID7173985
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c1-20(15-11-12-25(23,24)13-15)19(22)17-10-6-5-9-16(17)18(21)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1
InChIKeyHHRYTQRDSNUPPZ-HNNXBMFYSA-N
XLogP2.18
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide 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-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-nitrobenzamide
CID 7259784
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
3-amino-2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 112575061
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 37249177
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 5123376
2-(4-benzoylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 24595012
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 26008872

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide?
The IUPAC name of 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide (CID 7173985) is 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide.
What is the SMILES notation for 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide?
The canonical SMILES for 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide?
The InChIKey is HHRYTQRDSNUPPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-20(15-11-12-25(23,24)13-15)19(22)17-10-6-5-9-16(17)18(21)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide?
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide is sourced from PubChem (CID 7173985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).