N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide

C18H25N3O5S — CID 112991295

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O5S/c22-17(20-10-12-26-13-11-20)14-19-18(23)15-4-6-16(7-5-15)27(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23)
InChIKeyYLXVZIRPWPMSMT-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.45
Rot. Bonds5

About N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 112991295) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID112991295
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O5S/c22-17(20-10-12-26-13-11-20)14-19-18(23)15-4-6-16(7-5-15)27(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23)
InChIKeyYLXVZIRPWPMSMT-UHFFFAOYSA-N
XLogP0.45
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 24552239
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide (CID 112991295) is N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(NCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YLXVZIRPWPMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c22-17(20-10-12-26-13-11-20)14-19-18(23)15-4-6-16(7-5-15)27(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23).
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 112991295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).