N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C21H26N2O5S — CID 1095238

IUPACN-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-19(20)23(16-21(24)22-12-14-27-15-13-22)29(25,26)18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3
InChIKeyOQNQYCXOWNQHLA-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.45
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1095238) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1095238
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-19(20)23(16-21(24)22-12-14-27-15-13-22)29(25,26)18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3
InChIKeyOQNQYCXOWNQHLA-UHFFFAOYSA-N
XLogP2.45
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1095238) is N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is OQNQYCXOWNQHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-28-20-7-5-4-6-19(20)23(16-21(24)22-12-14-27-15-13-22)29(25,26)18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1095238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).