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

C14H20N2O4S — CID 1095117

IUPACN-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)16(21(2,18)19)11-14(17)15-7-9-20-10-8-15/h3-6H,7-11H2,1-2H3
InChIKeyHTXLCRDCPOOEHI-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.62
Rot. Bonds4

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

N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 1095117) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID1095117
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)16(21(2,18)19)11-14(17)15-7-9-20-10-8-15/h3-6H,7-11H2,1-2H3
InChIKeyHTXLCRDCPOOEHI-UHFFFAOYSA-N
XLogP0.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
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-(2,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846829
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-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 1095117) is N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is HTXLCRDCPOOEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)16(21(2,18)19)11-14(17)15-7-9-20-10-8-15/h3-6H,7-11H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 1095117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).