N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C24H31N3O4S — CID 25162810

IUPACN-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-19-7-8-22(32(29,30)27-13-15-31-16-14-27)17-23(19)24(28)25-21-9-11-26(12-10-21)18-20-5-3-2-4-6-20/h2-8,17,21H,9-16,18H2,1H3,(H,25,28)
InChIKeyKYQXQVUAEGSSAF-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.41
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 25162810) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID25162810
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-19-7-8-22(32(29,30)27-13-15-31-16-14-27)17-23(19)24(28)25-21-9-11-26(12-10-21)18-20-5-3-2-4-6-20/h2-8,17,21H,9-16,18H2,1H3,(H,25,28)
InChIKeyKYQXQVUAEGSSAF-UHFFFAOYSA-N
XLogP2.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

INO-1001 free base
CID 9889396
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Ino-1001
CID 11272610
13-fluoro-N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 11248095
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 25162810) is N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KYQXQVUAEGSSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-19-7-8-22(32(29,30)27-13-15-31-16-14-27)17-23(19)24(28)25-21-9-11-26(12-10-21)18-20-5-3-2-4-6-20/h2-8,17,21H,9-16,18H2,1H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 25162810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).