N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide

C24H26N2O4S — CID 27038842

IUPACN-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-12-9-19(10-13-22)24(27)25-21-11-14-23(30-3)20(16-21)15-18-7-5-4-6-8-18/h4-14,16-17,26H,15H2,1-3H3,(H,25,27)
InChIKeyNXODJAUYRSUHGM-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.22
Rot. Bonds8

About N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 27038842) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID27038842
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-12-9-19(10-13-22)24(27)25-21-11-14-23(30-3)20(16-21)15-18-7-5-4-6-8-18/h4-14,16-17,26H,15H2,1-3H3,(H,25,27)
InChIKeyNXODJAUYRSUHGM-UHFFFAOYSA-N
XLogP4.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
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N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
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N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
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4-amino-N-(3-benzyl-4-methoxyphenyl)-3-nitrobenzamide
CID 42372191
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119956209
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
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CID 27648936

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 27038842) is N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is NXODJAUYRSUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-12-9-19(10-13-22)24(27)25-21-11-14-23(30-3)20(16-21)15-18-7-5-4-6-8-18/h4-14,16-17,26H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 27038842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).