N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H22N2O6S — CID 1102396

IUPACN-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O6S/c1-21-12-4-5-14(22-2)13(10-12)17(24(3,19)20)11-15(18)16-6-8-23-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKBJZSNSJPMHNEH-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.33
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 1102396) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID1102396
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC NameN-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O6S/c1-21-12-4-5-14(22-2)13(10-12)17(24(3,19)20)11-15(18)16-6-8-23-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyKBJZSNSJPMHNEH-UHFFFAOYSA-N
XLogP0.33
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 1102396) is N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is COc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is KBJZSNSJPMHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-21-12-4-5-14(22-2)13(10-12)17(24(3,19)20)11-15(18)16-6-8-23-9-7-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 1102396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).