N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide

C22H30N2O6S — CID 43907861

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCOc1ccc(N(C(C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O6S/c1-7-30-19-11-9-18(10-12-19)24(31(6,26)27)16(2)22(25)23(3)15-17-8-13-20(28-4)21(14-17)29-5/h8-14,16H,7,15H2,1-6H3
InChIKeyHNROHFLUXFLXQX-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.92
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 43907861) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID43907861
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCOc1ccc(N(C(C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O6S/c1-7-30-19-11-9-18(10-12-19)24(31(6,26)27)16(2)22(25)23(3)15-17-8-13-20(28-4)21(14-17)29-5/h8-14,16H,7,15H2,1-6H3
InChIKeyHNROHFLUXFLXQX-UHFFFAOYSA-N
XLogP2.92
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 132670755
(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
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 92676323
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 43885933
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 46769313
(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
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 132662390
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide (CID 43907861) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide is CCOc1ccc(N(C(C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is HNROHFLUXFLXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-7-30-19-11-9-18(10-12-19)24(31(6,26)27)16(2)22(25)23(3)15-17-8-13-20(28-4)21(14-17)29-5/h8-14,16H,7,15H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 450.56 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 43907861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).