N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

C19H32N2O4S — CID 112823099

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C19H32N2O4S/c1-13-8-17(9-14(2)18(13)24-7)26(22,23)20-12-19(5,6)21-10-15(3)25-16(4)11-21/h8-9,15-16,20H,10-12H2,1-7H3
InChIKeyICWHBDIGROBSBW-UHFFFAOYSA-N
MW384.54 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 112823099) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID112823099
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C19H32N2O4S/c1-13-8-17(9-14(2)18(13)24-7)26(22,23)20-12-19(5,6)21-10-15(3)25-16(4)11-21/h8-9,15-16,20H,10-12H2,1-7H3
InChIKeyICWHBDIGROBSBW-UHFFFAOYSA-N
XLogP2.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
CID 18141505
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25350845
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646172
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-5,6-dimethylpyridazin-3-amine
CID 133488871
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 25325612
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25395281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 112823099) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1C.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is ICWHBDIGROBSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-13-8-17(9-14(2)18(13)24-7)26(22,23)20-12-19(5,6)21-10-15(3)25-16(4)11-21/h8-9,15-16,20H,10-12H2,1-7H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).