3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C17H20N2O3S — CID 2683013

IUPAC3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-13(2)11-15(10-12)17(20)19-8-7-14-3-5-16(6-4-14)23(18,21)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyGGYZZGDCDPRXCG-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.92
Rot. Bonds5

About 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2683013) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2683013
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-13(2)11-15(10-12)17(20)19-8-7-14-3-5-16(6-4-14)23(18,21)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyGGYZZGDCDPRXCG-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2683013) is 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Cc1cc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is GGYZZGDCDPRXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-9-13(2)11-15(10-12)17(20)19-8-7-14-3-5-16(6-4-14)23(18,21)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2683013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).