N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H22N2O4S — CID 764241

IUPACN-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H22N2O4S/c1-12-4-5-14(10-13(12)2)17(22(3,19)20)11-15(18)16-6-8-21-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOSBYCYPWGDRILY-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.93
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 764241) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID764241
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H22N2O4S/c1-12-4-5-14(10-13(12)2)17(22(3,19)20)11-15(18)16-6-8-21-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOSBYCYPWGDRILY-UHFFFAOYSA-N
XLogP0.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
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-(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-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 89659414
N-(2-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 694747
2-[(4-Methylphenyl)(methylsulfonyl)amino]-1-morpholin-4-ylethan-1-one
CID 1095117
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1142790

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 764241) is N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is OSBYCYPWGDRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-4-5-14(10-13(12)2)17(22(3,19)20)11-15(18)16-6-8-21-9-7-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 764241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).