2-(benzenesulfonyl)-N,N-dibenzylpropanamide

C23H23NO3S — CID 112779733

IUPAC2-(benzenesulfonyl)-N,N-dibenzylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-19(28(26,27)22-15-9-4-10-16-22)23(25)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3
InChIKeyROQUTISGKLZTSJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.08
Rot. Bonds7

About 2-(benzenesulfonyl)-N,N-dibenzylpropanamide

2-(benzenesulfonyl)-N,N-dibenzylpropanamide (PubChem CID 112779733) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-dibenzylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-dibenzylpropanamide
PubChem CID112779733
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name2-(benzenesulfonyl)-N,N-dibenzylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-19(28(26,27)22-15-9-4-10-16-22)23(25)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3
InChIKeyROQUTISGKLZTSJ-UHFFFAOYSA-N
XLogP4.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
CID 57055872
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 5105119
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
(2R)-N,N-dibenzyl-5-hydroxy-2-methylpentanamide
CID 155444836
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-dibenzylpropanamide?
The IUPAC name of 2-(benzenesulfonyl)-N,N-dibenzylpropanamide (CID 112779733) is 2-(benzenesulfonyl)-N,N-dibenzylpropanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-dibenzylpropanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-dibenzylpropanamide is CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-dibenzylpropanamide?
The InChIKey is ROQUTISGKLZTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-19(28(26,27)22-15-9-4-10-16-22)23(25)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-N,N-dibenzylpropanamide?
2-(benzenesulfonyl)-N,N-dibenzylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-dibenzylpropanamide is sourced from PubChem (CID 112779733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).