N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

C21H28N2O5S — CID 132666327

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15-7-6-8-18(13-15)23(29(5,25)26)16(2)21(24)22-12-11-17-9-10-19(27-3)20(14-17)28-4/h6-10,13-14,16H,11-12H2,1-5H3,(H,22,24)
InChIKeyWNZKHIDKNZRAIW-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132666327) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132666327
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15-7-6-8-18(13-15)23(29(5,25)26)16(2)21(24)22-12-11-17-9-10-19(27-3)20(14-17)28-4/h6-10,13-14,16H,11-12H2,1-5H3,(H,22,24)
InChIKeyWNZKHIDKNZRAIW-UHFFFAOYSA-N
XLogP2.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132670248
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735
N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132662384
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
(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-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132659326
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 100641711
2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132669642
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132668096
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 132666327) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is COc1ccc(CCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is WNZKHIDKNZRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15-7-6-8-18(13-15)23(29(5,25)26)16(2)21(24)22-12-11-17-9-10-19(27-3)20(14-17)28-4/h6-10,13-14,16H,11-12H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 420.53 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132666327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).