N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide

C21H26N2O7S2 — CID 164663208

IUPACN-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C21H26N2O7S2/c1-3-30-20-10-9-17(22-15(2)24)11-21(20)32(28,29)23(12-16-7-5-4-6-8-16)18-13-31(26,27)14-19(18)25/h4-11,18-19,25H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyMEWPVWMOCWNHCL-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.39
Rot. Bonds8

About N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide

N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide (PubChem CID 164663208) has the molecular formula C21H26N2O7S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
PubChem CID164663208
Molecular FormulaC21H26N2O7S2
Molecular Weight482.58 g/mol
Exact Mass482.12
IUPAC NameN-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C21H26N2O7S2/c1-3-30-20-10-9-17(22-15(2)24)11-21(20)32(28,29)23(12-16-7-5-4-6-8-16)18-13-31(26,27)14-19(18)25/h4-11,18-19,25H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyMEWPVWMOCWNHCL-UHFFFAOYSA-N
XLogP1.39
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 164663204
N-[3-[[(5-acetamido-2-ethoxyphenyl)sulfonyl-(1,1-dioxothiolan-3-yl)amino]-(1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
CID 164663221
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide?
The IUPAC name of N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide (CID 164663208) is N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide?
The canonical SMILES for N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)C1CS(=O)(=O)CC1O.
What is the InChIKey of N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide?
The InChIKey is MEWPVWMOCWNHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S2/c1-3-30-20-10-9-17(22-15(2)24)11-21(20)32(28,29)23(12-16-7-5-4-6-8-16)18-13-31(26,27)14-19(18)25/h4-11,18-19,25H,3,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide?
N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 164663208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).