N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide

C20H26N2O4S — CID 17310703

IUPACN-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-15-21-27(24,25)19-12-8-17(9-13-19)22-20(23)14-7-16-5-10-18(26-2)11-6-16/h5-6,8-13,21H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyRRGIFFCGOCPVCL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.34
Rot. Bonds10

About N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 17310703) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID17310703
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-15-21-27(24,25)19-12-8-17(9-13-19)22-20(23)14-7-16-5-10-18(26-2)11-6-16/h5-6,8-13,21H,3-4,7,14-15H2,1-2H3,(H,22,23)
InChIKeyRRGIFFCGOCPVCL-UHFFFAOYSA-N
XLogP3.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.34
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-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 17310703) is N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide is CCCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RRGIFFCGOCPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-15-21-27(24,25)19-12-8-17(9-13-19)22-20(23)14-7-16-5-10-18(26-2)11-6-16/h5-6,8-13,21H,3-4,7,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17310703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).