N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C23H37N3O4S — CID 24633664

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H37N3O4S/c1-18(2)16-21(25-12-14-30-15-13-25)17-24-23(27)20-4-6-22(7-5-20)31(28,29)26-10-8-19(3)9-11-26/h4-7,18-19,21H,8-17H2,1-3H3,(H,24,27)
InChIKeyFOPWGQUSHPFRAK-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.58
Rot. Bonds8

About N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 24633664) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID24633664
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H37N3O4S/c1-18(2)16-21(25-12-14-30-15-13-25)17-24-23(27)20-4-6-22(7-5-20)31(28,29)26-10-8-19(3)9-11-26/h4-7,18-19,21H,8-17H2,1-3H3,(H,24,27)
InChIKeyFOPWGQUSHPFRAK-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050167
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(phenylsulfamoyl)benzamide
CID 43044286
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
ethyl N-[4-methyl-1-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]pentan-2-yl]carbamate
CID 46432492
N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 8501899
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 24633664) is N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FOPWGQUSHPFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-18(2)16-21(25-12-14-30-15-13-25)17-24-23(27)20-4-6-22(7-5-20)31(28,29)26-10-8-19(3)9-11-26/h4-7,18-19,21H,8-17H2,1-3H3,(H,24,27).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 451.63 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 24633664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).