N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide

C20H26N2O3S — CID 18144535

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-16-8-9-20(12-17(16)2)26(23,24)21-13-19-15-22(10-11-25-19)14-18-6-4-3-5-7-18/h3-9,12,19,21H,10-11,13-15H2,1-2H3
InChIKeyWXYUWMSONQJMRT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.48
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 18144535) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID18144535
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-16-8-9-20(12-17(16)2)26(23,24)21-13-19-15-22(10-11-25-19)14-18-6-4-3-5-7-18/h3-9,12,19,21H,10-11,13-15H2,1-2H3
InChIKeyWXYUWMSONQJMRT-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 71850796
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[(4-benzylmorpholin-2-yl)methyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43044118
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide (CID 18144535) is N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1C.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is WXYUWMSONQJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-8-9-20(12-17(16)2)26(23,24)21-13-19-15-22(10-11-25-19)14-18-6-4-3-5-7-18/h3-9,12,19,21H,10-11,13-15H2,1-2H3.
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 18144535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).