N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide

C24H26N2O4S — CID 16600285

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-15-11-20(12-16-22)24(27)25-23(18-7-5-4-6-8-18)19-9-13-21(30-3)14-10-19/h4-17,23,26H,1-3H3,(H,25,27)
InChIKeyVUPYPUOYYAVBDE-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.90
Rot. Bonds8

About N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16600285) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16600285
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-15-11-20(12-16-22)24(27)25-23(18-7-5-4-6-8-18)19-9-13-21(30-3)14-10-19/h4-17,23,26H,1-3H3,(H,25,27)
InChIKeyVUPYPUOYYAVBDE-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78840747
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24544258
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600799
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 16600285) is N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is VUPYPUOYYAVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17(2)26-31(28,29)22-15-11-20(12-16-22)24(27)25-23(18-7-5-4-6-8-18)19-9-13-21(30-3)14-10-19/h4-17,23,26H,1-3H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16600285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).