N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide

C18H22N2O3S — CID 110780438

IUPACN-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCCCc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-15-5-7-16(8-6-15)13-19-24(22,23)18-11-9-17(10-12-18)20-14(2)21/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyHUGKYTODTBIXLH-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.08
Rot. Bonds7

About N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide

N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 110780438) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID110780438
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCCCc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-15-5-7-16(8-6-15)13-19-24(22,23)18-11-9-17(10-12-18)20-14(2)21/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyHUGKYTODTBIXLH-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide (CID 110780438) is N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide is CCCc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is HUGKYTODTBIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-15-5-7-16(8-6-15)13-19-24(22,23)18-11-9-17(10-12-18)20-14(2)21/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110780438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).