4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide

C20H28N2O2S — CID 56541912

IUPAC4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(C)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-5-17-11-13-19(14-12-17)25(23,24)21-15-20(3,4)22-16(2)18-9-7-6-8-10-18/h6-14,16,21-22H,5,15H2,1-4H3
InChIKeyXUXDNSGCJKRTRS-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.66
Rot. Bonds8

About 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide

4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide (PubChem CID 56541912) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
PubChem CID56541912
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(C)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-5-17-11-13-19(14-12-17)25(23,24)21-15-20(3,4)22-16(2)18-9-7-6-8-10-18/h6-14,16,21-22H,5,15H2,1-4H3
InChIKeyXUXDNSGCJKRTRS-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzoate
CID 56541636
N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide
CID 56541430
dimethyl 5-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 56541841
ethyl 3-[[2-methyl-2-(1-phenylethylamino)propyl]sulfamoyl]benzoate
CID 56541670
4-chloro-3-cyano-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 56541530
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
CID 97258597
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide (CID 56541912) is 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(C)(C)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide?
The InChIKey is XUXDNSGCJKRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-5-17-11-13-19(14-12-17)25(23,24)21-15-20(3,4)22-16(2)18-9-7-6-8-10-18/h6-14,16,21-22H,5,15H2,1-4H3.
What are the key properties of 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide?
4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-methyl-2-(1-phenylethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 56541912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).