N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide

C20H28N2O2S — CID 55353812

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-4-8-17-11-13-20(14-12-17)25(23,24)21-16-19(22(2)3)15-18-9-6-5-7-10-18/h5-7,9-14,19,21H,4,8,15-16H2,1-3H3
InChIKeySBNYTFSZVDJFLY-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide

N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide (PubChem CID 55353812) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
PubChem CID55353812
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-4-8-17-11-13-20(14-12-17)25(23,24)21-16-19(22(2)3)15-18-9-6-5-7-10-18/h5-7,9-14,19,21H,4,8,15-16H2,1-3H3
InChIKeySBNYTFSZVDJFLY-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 46403128
N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
CID 51169617
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1-methylimidazole-4-sulfonamide
CID 134035705
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide (CID 55353812) is N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide?
The InChIKey is SBNYTFSZVDJFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-4-8-17-11-13-20(14-12-17)25(23,24)21-16-19(22(2)3)15-18-9-6-5-7-10-18/h5-7,9-14,19,21H,4,8,15-16H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide?
N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 55353812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).