N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide

C16H24N2O4S — CID 51163346

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,18-7-9-22-10-8-18)12-17-15(19)13-5-4-6-14(11-13)23(3,20)21/h4-6,11H,7-10,12H2,1-3H3,(H,17,19)
InChIKeyWDIGHGMRUXLSAB-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.93
Rot. Bonds5

About N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide

N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide (PubChem CID 51163346) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
PubChem CID51163346
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,18-7-9-22-10-8-18)12-17-15(19)13-5-4-6-14(11-13)23(3,20)21/h4-6,11H,7-10,12H2,1-3H3,(H,17,19)
InChIKeyWDIGHGMRUXLSAB-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 110312959
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 47019703
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 24982802
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
N-[4-(bromomethyl)oxan-4-yl]-3-methylsulfonylbenzamide
CID 106300829
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide (CID 51163346) is N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide is CC(C)(CNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide?
The InChIKey is WDIGHGMRUXLSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,18-7-9-22-10-8-18)12-17-15(19)13-5-4-6-14(11-13)23(3,20)21/h4-6,11H,7-10,12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide has a molecular weight of 340.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 51163346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).