2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

C20H26N2O5S — CID 132662735

IUPAC2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-15(20(23)21-13-12-16-8-6-5-7-9-16)22(28(4,24)25)17-10-11-18(26-2)19(14-17)27-3/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyOCYHTWBWRYCUTK-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.22
Rot. Bonds9

About 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (PubChem CID 132662735) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
PubChem CID132662735
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-15(20(23)21-13-12-16-8-6-5-7-9-16)22(28(4,24)25)17-10-11-18(26-2)19(14-17)27-3/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyOCYHTWBWRYCUTK-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252034
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 125066082
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 125064947
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132674576
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189259
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125057622

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (CID 132662735) is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is COc1ccc(N(C(C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is OCYHTWBWRYCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15(20(23)21-13-12-16-8-6-5-7-9-16)22(28(4,24)25)17-10-11-18(26-2)19(14-17)27-3/h5-11,14-15H,12-13H2,1-4H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 132662735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).