4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide

C23H32N2O5S — CID 24548544

IUPAC4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C23H32N2O5S/c1-6-24(17-18-10-15-21(30-9-4)22(16-18)29-5)23(26)19-11-13-20(14-12-19)31(27,28)25(7-2)8-3/h10-16H,6-9,17H2,1-5H3
InChIKeyMJILVGIISAACKE-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.79
Rot. Bonds11

About 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide

4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide (PubChem CID 24548544) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
PubChem CID24548544
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C23H32N2O5S/c1-6-24(17-18-10-15-21(30-9-4)22(16-18)29-5)23(26)19-11-13-20(14-12-19)31(27,28)25(7-2)8-3/h10-16H,6-9,17H2,1-5H3
InChIKeyMJILVGIISAACKE-UHFFFAOYSA-N
XLogP3.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24655921
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide (CID 24548544) is 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide is CCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The InChIKey is MJILVGIISAACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-6-24(17-18-10-15-21(30-9-4)22(16-18)29-5)23(26)19-11-13-20(14-12-19)31(27,28)25(7-2)8-3/h10-16H,6-9,17H2,1-5H3.
What are the key properties of 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide has a molecular weight of 448.59 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 24548544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).