3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

C20H24N2O5S2 — CID 22829683

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H24N2O5S2/c1-14(2)18-8-3-4-9-19(18)21-20(23)15-6-5-7-17(12-15)29(26,27)22-16-10-11-28(24,25)13-16/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyXYHQHNVAWIYWIN-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.53
Rot. Bonds6

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 22829683) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID22829683
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H24N2O5S2/c1-14(2)18-8-3-4-9-19(18)21-20(23)15-6-5-7-17(12-15)29(26,27)22-16-10-11-28(24,25)13-16/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyXYHQHNVAWIYWIN-UHFFFAOYSA-N
XLogP2.53
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide 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

N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (CID 22829683) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is XYHQHNVAWIYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-14(2)18-8-3-4-9-19(18)21-20(23)15-6-5-7-17(12-15)29(26,27)22-16-10-11-28(24,25)13-16/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 436.56 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 22829683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).