2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

C19H30N2O4S — CID 51293304

IUPAC2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCOC(C)C2)c(C)c1C
InChIInChI=1S/C19H30N2O4S/c1-12-11-21(9-10-25-12)18(22)7-8-20-26(23,24)19-16(5)14(3)13(2)15(4)17(19)6/h12,20H,7-11H2,1-6H3
InChIKeyVXPXHXANKDGLAE-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.14
Rot. Bonds5

About 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 51293304) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID51293304
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCOC(C)C2)c(C)c1C
InChIInChI=1S/C19H30N2O4S/c1-12-11-21(9-10-25-12)18(22)7-8-20-26(23,24)19-16(5)14(3)13(2)15(4)17(19)6/h12,20H,7-11H2,1-6H3
InChIKeyVXPXHXANKDGLAE-UHFFFAOYSA-N
XLogP2.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide;hydrochloride
CID 119413364
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 119381659
2,3,4,5,6-pentamethyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119542277
2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55440149
N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 55850858
N-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38046295
2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 120805059
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
2,3,5,6-tetramethyl-N-[3-(4-methylsulfonylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 90586392
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
N-[3-(3-ethylsulfonylazetidin-1-yl)-3-oxopropyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121164360

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (CID 51293304) is 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCOC(C)C2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is VXPXHXANKDGLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-12-11-21(9-10-25-12)18(22)7-8-20-26(23,24)19-16(5)14(3)13(2)15(4)17(19)6/h12,20H,7-11H2,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 51293304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).