N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide

C16H24N2O4S — CID 846512

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(2)14-4-6-15(7-5-14)18(23(3,20)21)12-16(19)17-8-10-22-11-9-17/h4-7,13H,8-12H2,1-3H3
InChIKeyKFUOSOWWPPUFMS-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.43
Rot. Bonds5

About N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide

N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 846512) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide
PubChem CID846512
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(2)14-4-6-15(7-5-14)18(23(3,20)21)12-16(19)17-8-10-22-11-9-17/h4-7,13H,8-12H2,1-3H3
InChIKeyKFUOSOWWPPUFMS-UHFFFAOYSA-N
XLogP1.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.43
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-(4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide (CID 846512) is N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is KFUOSOWWPPUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(2)14-4-6-15(7-5-14)18(23(3,20)21)12-16(19)17-8-10-22-11-9-17/h4-7,13H,8-12H2,1-3H3.
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide?
N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.43, 5 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-(4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).