N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C24H26N2O4S — CID 24546779

IUPACN-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-18-5-7-19(8-6-18)17-26(2)24(27)20-9-15-23(16-10-20)31(28,29)25-21-11-13-22(30-3)14-12-21/h5-16,25H,4,17H2,1-3H3
InChIKeyISZSKAXYKFEIOL-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.33
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24546779) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24546779
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-18-5-7-19(8-6-18)17-26(2)24(27)20-9-15-23(16-10-20)31(28,29)25-21-11-13-22(30-3)14-12-21/h5-16,25H,4,17H2,1-3H3
InChIKeyISZSKAXYKFEIOL-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 24546779) is N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is ISZSKAXYKFEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-18-5-7-19(8-6-18)17-26(2)24(27)20-9-15-23(16-10-20)31(28,29)25-21-11-13-22(30-3)14-12-21/h5-16,25H,4,17H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24546779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).