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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Related Compounds

N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
N-(3-chloro-4-methylphenyl)-N-[2-(4-morpholinyl)-2-oxoethyl]methanesulfonamide
CID 846437
N-(4-Isopropyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846512
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
N-(1-Methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-N-p-tolyl-methanesulfonamide
CID 3158631
2-[N-(dimethylsulfamoyl)anilino]-1-morpholin-4-ylethanone
CID 800437
1-(4-Methylphenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9859937
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-ethyl-1-phenylmethanesulfonamide
CID 89659369

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).