3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide

C25H28N2O5S — CID 2373077

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-32-23-13-9-21(10-14-23)27-33(29,30)24-17-20(8-5-18(24)2)25(28)26-16-15-19-6-11-22(31-3)12-7-19/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyYEBIHPMWIYHCHH-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.18
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 2373077) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID2373077
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-32-23-13-9-21(10-14-23)27-33(29,30)24-17-20(8-5-18(24)2)25(28)26-16-15-19-6-11-22(31-3)12-7-19/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyYEBIHPMWIYHCHH-UHFFFAOYSA-N
XLogP4.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2608068
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
CID 119384310
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (CID 2373077) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)ccc2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is YEBIHPMWIYHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-32-23-13-9-21(10-14-23)27-33(29,30)24-17-20(8-5-18(24)2)25(28)26-16-15-19-6-11-22(31-3)12-7-19/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 2373077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).