N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide

C19H24N2O5S2 — CID 17309496

IUPACN-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-4-13-20-28(25,26)18-11-7-16(8-12-18)21-19(22)14-27(23,24)17-9-5-15(2)6-10-17/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyFVZLIDVXKOVUHG-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.49
Rot. Bonds9

About N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide

N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 17309496) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID17309496
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-4-13-20-28(25,26)18-11-7-16(8-12-18)21-19(22)14-27(23,24)17-9-5-15(2)6-10-17/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyFVZLIDVXKOVUHG-UHFFFAOYSA-N
XLogP2.49
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide (CID 17309496) is N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide is CCCCNS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is FVZLIDVXKOVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-3-4-13-20-28(25,26)18-11-7-16(8-12-18)21-19(22)14-27(23,24)17-9-5-15(2)6-10-17/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide?
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 424.54 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 17309496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).