N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H22N2O4S — CID 887121

IUPACN-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)17(22(2,19)20)12-15(18)16-8-10-21-11-9-16/h4-7H,3,8-12H2,1-2H3
InChIKeyIKFWJTRNCXNNIZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.87
Rot. Bonds5

About N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 887121) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID887121
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)17(22(2,19)20)12-15(18)16-8-10-21-11-9-16/h4-7H,3,8-12H2,1-2H3
InChIKeyIKFWJTRNCXNNIZ-UHFFFAOYSA-N
XLogP0.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 887121) is N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is CCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is IKFWJTRNCXNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-13-4-6-14(7-5-13)17(22(2,19)20)12-15(18)16-8-10-21-11-9-16/h4-7H,3,8-12H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 887121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).