4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide

C17H20N2O4S — CID 35437620

IUPAC4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-4-3-5-15(12-13)19-17(20)14-6-8-16(9-7-14)24(21,22)18-10-11-23-2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyWDYWZVLRPBPTFM-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.17
Rot. Bonds7

About 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide

4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide (PubChem CID 35437620) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
PubChem CID35437620
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-4-3-5-15(12-13)19-17(20)14-6-8-16(9-7-14)24(21,22)18-10-11-23-2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyWDYWZVLRPBPTFM-UHFFFAOYSA-N
XLogP2.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24625442
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide (CID 35437620) is 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The InChIKey is WDYWZVLRPBPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-4-3-5-15(12-13)19-17(20)14-6-8-16(9-7-14)24(21,22)18-10-11-23-2/h3-9,12,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide?
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 35437620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).