3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide

C18H22N2O3S — CID 18128082

IUPAC3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-6-15-9-11-16(12-10-15)20-18(21)13-14-19-24(22,23)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-14H2,1H3,(H,20,21)
InChIKeyQNJOBRSQLYFUQE-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds8

About 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide

3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide (PubChem CID 18128082) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
PubChem CID18128082
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-6-15-9-11-16(12-10-15)20-18(21)13-14-19-24(22,23)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-14H2,1H3,(H,20,21)
InChIKeyQNJOBRSQLYFUQE-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
S-[4-[3-(benzenesulfonamido)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56544803
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide (CID 18128082) is 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide is CCCc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide?
The InChIKey is QNJOBRSQLYFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-6-15-9-11-16(12-10-15)20-18(21)13-14-19-24(22,23)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-14H2,1H3,(H,20,21).
What are the key properties of 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide?
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide is sourced from PubChem (CID 18128082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).