N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H22N2O5S — CID 846406

IUPACN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-12-4-5-14(21-2)13(10-12)17(23(3,19)20)11-15(18)16-6-8-22-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyCRIXQDYREIDNOQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.63
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 846406) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID846406
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-12-4-5-14(21-2)13(10-12)17(23(3,19)20)11-15(18)16-6-8-22-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyCRIXQDYREIDNOQ-UHFFFAOYSA-N
XLogP0.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 846406) is N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is COc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is CRIXQDYREIDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-12-4-5-14(21-2)13(10-12)17(23(3,19)20)11-15(18)16-6-8-22-9-7-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 846406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).