2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide

C21H26N2O4S — CID 24535412

IUPAC2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyRLUNQNWJCGZNQB-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.40
Rot. Bonds6

About 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide

2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide (PubChem CID 24535412) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
PubChem CID24535412
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyRLUNQNWJCGZNQB-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
1-(2,4-dimethylphenyl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]methanamine
CID 119111405
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 16960953
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide (CID 24535412) is 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide is Cc1ccc(C)c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The InChIKey is RLUNQNWJCGZNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-28(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24535412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).