2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

C20H31N3O4S — CID 6471941

IUPAC2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H31N3O4S/c1-16-5-8-23(9-6-16)28(25,26)18-4-3-17(2)19(15-18)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24)
InChIKeyMIRROOIETYTSKA-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.48
Rot. Bonds6

About 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 6471941) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID6471941
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H31N3O4S/c1-16-5-8-23(9-6-16)28(25,26)18-4-3-17(2)19(15-18)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24)
InChIKeyMIRROOIETYTSKA-UHFFFAOYSA-N
XLogP1.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 35162191
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 32915727
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (CID 6471941) is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MIRROOIETYTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16-5-8-23(9-6-16)28(25,26)18-4-3-17(2)19(15-18)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 409.55 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 6471941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).