N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide

C24H25ClN2O3S — CID 5105119

IUPACN,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25ClN2O3S/c1-19(27(31(2,29)30)23-15-13-22(25)14-16-23)24(28)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3
InChIKeyJZDOUYRGSNLVNG-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.72
Rot. Bonds8

About N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide

N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 5105119) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID5105119
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25ClN2O3S/c1-19(27(31(2,29)30)23-15-13-22(25)14-16-23)24(28)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3
InChIKeyJZDOUYRGSNLVNG-UHFFFAOYSA-N
XLogP4.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 133185523
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 46771727
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 43917021
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 43905083
(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 126415319
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 42587370
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100564819

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide (CID 5105119) is N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide is CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is JZDOUYRGSNLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-19(27(31(2,29)30)23-15-13-22(25)14-16-23)24(28)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide?
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 5105119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).