N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide

C19H26N2O4S2 — CID 56541430

IUPACN-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide
SMILESCC(NC(C)(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-15(16-10-6-5-7-11-16)21-19(2,3)14-20-27(24,25)18-13-9-8-12-17(18)26(4,22)23/h5-13,15,20-21H,14H2,1-4H3
InChIKeyNBIOXJRGAGHOOC-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.50
Rot. Bonds8

About N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide

N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 56541430) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID56541430
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide
SMILESCC(NC(C)(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-15(16-10-6-5-7-11-16)21-19(2,3)14-20-27(24,25)18-13-9-8-12-17(18)26(4,22)23/h5-13,15,20-21H,14H2,1-4H3
InChIKeyNBIOXJRGAGHOOC-UHFFFAOYSA-N
XLogP2.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-nitrobenzenesulfonamide
CID 56541434
4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 56541912
methyl 4-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzoate
CID 56541636
dimethyl 5-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 56541841
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
4-chloro-3-cyano-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 56541530
ethyl 3-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzoate
CID 56541670
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 81245129
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351
3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
CID 119877886

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide (CID 56541430) is N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide is CC(NC(C)(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is NBIOXJRGAGHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-15(16-10-6-5-7-11-16)21-19(2,3)14-20-27(24,25)18-13-9-8-12-17(18)26(4,22)23/h5-13,15,20-21H,14H2,1-4H3.
What are the key properties of N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide?
N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 56541430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).