4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide

C20H26N2O4S — CID 109060824

IUPAC4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)12-13-21-20(23)17-6-10-19(11-7-17)27(24,25)22-14-16-4-8-18(26-3)9-5-16/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyMJKJDWNPLPRJAT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.95
Rot. Bonds9

About 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide

4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 109060824) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID109060824
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)12-13-21-20(23)17-6-10-19(11-7-17)27(24,25)22-14-16-4-8-18(26-3)9-5-16/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyMJKJDWNPLPRJAT-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N,N-bis(2-methylpropyl)benzamide
CID 20854207
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109060624
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide (CID 109060824) is 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide is COc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCCC(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is MJKJDWNPLPRJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)12-13-21-20(23)17-6-10-19(11-7-17)27(24,25)22-14-16-4-8-18(26-3)9-5-16/h4-11,15,22H,12-14H2,1-3H3,(H,21,23).
What are the key properties of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide?
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 390.51 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 4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 109060824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).