N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C14H20N2O5S — CID 846687

IUPACN-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-20-13-5-3-4-12(10-13)16(22(2,18)19)11-14(17)15-6-8-21-9-7-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyWWDBTXPVMQNSKJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.32
Rot. Bonds5

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

N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 846687) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID846687
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-20-13-5-3-4-12(10-13)16(22(2,18)19)11-14(17)15-6-8-21-9-7-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyWWDBTXPVMQNSKJ-UHFFFAOYSA-N
XLogP0.32
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 846687) is N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is COc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is WWDBTXPVMQNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-20-13-5-3-4-12(10-13)16(22(2,18)19)11-14(17)15-6-8-21-9-7-15/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 846687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).