N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide

C24H26N2O4S — CID 22304966

IUPACN,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide
SMILESCOc1c(NCC(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-30-24-21(14-9-15-22(24)31(2,28)29)25-16-23(27)26(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-15,25H,16-18H2,1-2H3
InChIKeyRPWMTJBORCZRPX-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.74
Rot. Bonds9

About N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide

N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide (PubChem CID 22304966) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide
PubChem CID22304966
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide
SMILESCOc1c(NCC(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-30-24-21(14-9-15-22(24)31(2,28)29)25-16-23(27)26(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-15,25H,16-18H2,1-2H3
InChIKeyRPWMTJBORCZRPX-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 22304144
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
CID 19062402
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
1,1-dibenzyl-3-(2-methoxyphenyl)thiourea
CID 3583218
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8564163
(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784499

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide?
The IUPAC name of N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide (CID 22304966) is N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide is COc1c(NCC(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1S(C)(=O)=O.
What is the InChIKey of N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide?
The InChIKey is RPWMTJBORCZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-30-24-21(14-9-15-22(24)31(2,28)29)25-16-23(27)26(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-15,25H,16-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide?
N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(2-methoxy-3-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22304966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).