N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide

C20H28N2O2S — CID 46403128

IUPACN-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C20H28N2O2S/c1-4-22(5-2)19(15-18-9-7-6-8-10-18)16-21-25(23,24)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3
InChIKeyZRNSYGFHDBUBFD-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.23
Rot. Bonds9

About N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide

N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 46403128) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID46403128
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C20H28N2O2S/c1-4-22(5-2)19(15-18-9-7-6-8-10-18)16-21-25(23,24)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3
InChIKeyZRNSYGFHDBUBFD-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
CID 55353812
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
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-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 46403128) is N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is ZRNSYGFHDBUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-4-22(5-2)19(15-18-9-7-6-8-10-18)16-21-25(23,24)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3.
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46403128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).