2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

C15H22N2O5S2 — CID 9188283

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H22N2O5S2/c1-11(2)17-24(21,22)14-5-3-13(4-6-14)16-15(18)9-12-7-8-23(19,20)10-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyJMKRHNFQVPKGAW-GFCCVEGCSA-N
MW374.48 g/mol
LogP1.14
Rot. Bonds6

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 9188283) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID9188283
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H22N2O5S2/c1-11(2)17-24(21,22)14-5-3-13(4-6-14)16-15(18)9-12-7-8-23(19,20)10-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyJMKRHNFQVPKGAW-GFCCVEGCSA-N
XLogP1.14
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]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-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 40588060
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
CID 9474862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119685749
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9328428
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 43649099
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8842048
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 9207165
2-(1,1-dioxothiolan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17463040
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842054

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 9188283) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JMKRHNFQVPKGAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-11(2)17-24(21,22)14-5-3-13(4-6-14)16-15(18)9-12-7-8-23(19,20)10-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).