N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

C20H31N3O4S — CID 55335115

IUPACN,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H31N3O4S/c1-3-21(4-2)20(24)18-16-17(28(25,26)23-10-6-5-7-11-23)8-9-19(18)22-12-14-27-15-13-22/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyGFTSOQBIHGUICO-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.18
Rot. Bonds6

About N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55335115) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55335115
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H31N3O4S/c1-3-21(4-2)20(24)18-16-17(28(25,26)23-10-6-5-7-11-23)8-9-19(18)22-12-14-27-15-13-22/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyGFTSOQBIHGUICO-UHFFFAOYSA-N
XLogP2.18
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (CID 55335115) is N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GFTSOQBIHGUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-21(4-2)20(24)18-16-17(28(25,26)23-10-6-5-7-11-23)8-9-19(18)22-12-14-27-15-13-22/h8-9,16H,3-7,10-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 409.55 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55335115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).