5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide

C20H26N2O4S — CID 86866408

IUPAC5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-5-13-22(4)20(23)19-14-18(12-7-15(19)3)27(24,25)21-16-8-10-17(11-9-16)26-6-2/h7-12,14,21H,5-6,13H2,1-4H3
InChIKeyMJAXOPYAQREFQC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.68
Rot. Bonds8

About 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide

5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide (PubChem CID 86866408) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
PubChem CID86866408
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-5-13-22(4)20(23)19-14-18(12-7-15(19)3)27(24,25)21-16-8-10-17(11-9-16)26-6-2/h7-12,14,21H,5-6,13H2,1-4H3
InChIKeyMJAXOPYAQREFQC-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
methyl 2-methyl-5-[[4-(4-propoxyphenyl)phenyl]sulfamoyl]benzoate
CID 58937229
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
2-chloro-N,N-bis(2-cyanoethyl)-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55370337
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
CID 58937149
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 55535046

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide (CID 86866408) is 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide is CCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide?
The InChIKey is MJAXOPYAQREFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-13-22(4)20(23)19-14-18(12-7-15(19)3)27(24,25)21-16-8-10-17(11-9-16)26-6-2/h7-12,14,21H,5-6,13H2,1-4H3.
What are the key properties of 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide?
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide is sourced from PubChem (CID 86866408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).