N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C20H26N2O5S — CID 133161733

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)C(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-21(14-15-11-12-17(26-3)18(13-15)27-4)20(23)19(22(2)28(5,24)25)16-9-7-6-8-10-16/h6-13,19H,14H2,1-5H3
InChIKeyTXNRBJDEFCBIHI-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.29
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133161733) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133161733
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)C(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-21(14-15-11-12-17(26-3)18(13-15)27-4)20(23)19(22(2)28(5,24)25)16-9-7-6-8-10-16/h6-13,19H,14H2,1-5H3
InChIKeyTXNRBJDEFCBIHI-UHFFFAOYSA-N
XLogP2.29
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125057945
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 99955289
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 28636215
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
CID 55383274
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 43885933
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 43907861

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133161733) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is COc1ccc(CN(C)C(=O)C(c2ccccc2)N(C)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is TXNRBJDEFCBIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-21(14-15-11-12-17(26-3)18(13-15)27-4)20(23)19(22(2)28(5,24)25)16-9-7-6-8-10-16/h6-13,19H,14H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 406.50 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133161733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).