N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide

C21H26N2O4S — CID 42997440

IUPACN-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C21H26N2O4S/c1-15-9-10-19(28(25,26)22-12-18-7-5-4-6-8-18)11-20(15)21(24)23-13-16(2)27-17(3)14-23/h4-11,16-17,22H,12-14H2,1-3H3
InChIKeyMPGVBTYXEZGECW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.72
Rot. Bonds5

About N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide

N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 42997440) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
PubChem CID42997440
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C21H26N2O4S/c1-15-9-10-19(28(25,26)22-12-18-7-5-4-6-8-18)11-20(15)21(24)23-13-16(2)27-17(3)14-23/h4-11,16-17,22H,12-14H2,1-3H3
InChIKeyMPGVBTYXEZGECW-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
CID 55844468
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3549443
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 31514219
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
5-(benzylsulfamoyl)-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388373
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
CID 43008919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide (CID 42997440) is N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is MPGVBTYXEZGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-9-10-19(28(25,26)22-12-18-7-5-4-6-8-18)11-20(15)21(24)23-13-16(2)27-17(3)14-23/h4-11,16-17,22H,12-14H2,1-3H3.
What are the key properties of N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide?
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 42997440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).