N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide

C19H24N2O4S — CID 110288838

IUPACN-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15(22)21-17-8-12-19(13-9-17)26(23,24)20-14-4-3-5-16-6-10-18(25-2)11-7-16/h6-13,20H,3-5,14H2,1-2H3,(H,21,22)
InChIKeyYHHRZUDKBYPFTR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.95
Rot. Bonds9

About N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide

N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide (PubChem CID 110288838) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
PubChem CID110288838
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-15(22)21-17-8-12-19(13-9-17)26(23,24)20-14-4-3-5-16-6-10-18(25-2)11-7-16/h6-13,20H,3-5,14H2,1-2H3,(H,21,22)
InChIKeyYHHRZUDKBYPFTR-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17310703
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide (CID 110288838) is N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide is COc1ccc(CCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide?
The InChIKey is YHHRZUDKBYPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(22)21-17-8-12-19(13-9-17)26(23,24)20-14-4-3-5-16-6-10-18(25-2)11-7-16/h6-13,20H,3-5,14H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide?
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110288838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).