N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C26H30N2O6S — CID 24655921

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-5-28(18-19-7-16-24(34-6-2)25(17-19)33-4)26(29)20-8-14-23(15-9-20)35(30,31)27-21-10-12-22(32-3)13-11-21/h7-17,27H,5-6,18H2,1-4H3
InChIKeyKIXLGLIKFWZPCV-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.57
Rot. Bonds11

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24655921) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24655921
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-5-28(18-19-7-16-24(34-6-2)25(17-19)33-4)26(29)20-8-14-23(15-9-20)35(30,31)27-21-10-12-22(32-3)13-11-21/h7-17,27H,5-6,18H2,1-4H3
InChIKeyKIXLGLIKFWZPCV-UHFFFAOYSA-N
XLogP4.57
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 55678008
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24655921) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is KIXLGLIKFWZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-5-28(18-19-7-16-24(34-6-2)25(17-19)33-4)26(29)20-8-14-23(15-9-20)35(30,31)27-21-10-12-22(32-3)13-11-21/h7-17,27H,5-6,18H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 498.60 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24655921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).