N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide

C13H18N2O4S — CID 785142

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15(12-5-3-2-4-6-12)11-13(16)14-7-9-19-10-8-14/h2-6H,7-11H2,1H3
InChIKeyYRKWMKPGRLEIEM-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.31
Rot. Bonds4

About N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide

N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide (PubChem CID 785142) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide
PubChem CID785142
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)15(12-5-3-2-4-6-12)11-13(16)14-7-9-19-10-8-14/h2-6H,7-11H2,1H3
InChIKeyYRKWMKPGRLEIEM-UHFFFAOYSA-N
XLogP0.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide (CID 785142) is N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide?
The InChIKey is YRKWMKPGRLEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)15(12-5-3-2-4-6-12)11-13(16)14-7-9-19-10-8-14/h2-6H,7-11H2,1H3.
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide?
N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 785142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).