N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

C19H24N2O5S2 — CID 55726790

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-16-7-9-18(10-8-16)27(23,24)13-11-19(22)20-12-14-28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3,(H,20,22)
InChIKeyTZMIYVRBAYEWAQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.39
Rot. Bonds10

About N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 55726790) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID55726790
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-16-7-9-18(10-8-16)27(23,24)13-11-19(22)20-12-14-28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3,(H,20,22)
InChIKeyTZMIYVRBAYEWAQ-UHFFFAOYSA-N
XLogP1.39
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 8749612
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8743244
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 9164941
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55726601

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 55726790) is N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is TZMIYVRBAYEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-16-7-9-18(10-8-16)27(23,24)13-11-19(22)20-12-14-28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3,(H,20,22).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 424.54 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 55726790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).