3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide

C20H24N2O7S2 — CID 24571136

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)cc1OC
InChIInChI=1S/C20H24N2O7S2/c1-3-29-18-8-7-15(12-19(18)28-2)21-20(23)14-5-4-6-17(11-14)31(26,27)22-16-9-10-30(24,25)13-16/h4-8,11-12,16,22H,3,9-10,13H2,1-2H3,(H,21,23)
InChIKeyFPLNJXGRUHGBJI-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.81
Rot. Bonds8

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide (PubChem CID 24571136) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
PubChem CID24571136
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)cc1OC
InChIInChI=1S/C20H24N2O7S2/c1-3-29-18-8-7-15(12-19(18)28-2)21-20(23)14-5-4-6-17(11-14)31(26,27)22-16-9-10-30(24,25)13-16/h4-8,11-12,16,22H,3,9-10,13H2,1-2H3,(H,21,23)
InChIKeyFPLNJXGRUHGBJI-UHFFFAOYSA-N
XLogP1.81
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43017144
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide (CID 24571136) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)cc1OC.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide?
The InChIKey is FPLNJXGRUHGBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c1-3-29-18-8-7-15(12-19(18)28-2)21-20(23)14-5-4-6-17(11-14)31(26,27)22-16-9-10-30(24,25)13-16/h4-8,11-12,16,22H,3,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide has a molecular weight of 468.55 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide is sourced from PubChem (CID 24571136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).