5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide

C23H26N2O5S — CID 171386529

IUPAC5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2cccs2)c(OC)c1OC
InChIInChI=1S/C23H26N2O5S/c1-27-20-18(23(26)25-14-17-5-4-12-31-17)13-19(21(28-2)22(20)29-3)30-16-8-6-15(7-9-16)10-11-24/h4-9,12-13H,10-11,14,24H2,1-3H3,(H,25,26)
InChIKeyPWGXAOMTKJEMKD-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.00
Rot. Bonds10

About 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide

5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 171386529) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID171386529
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2cccs2)c(OC)c1OC
InChIInChI=1S/C23H26N2O5S/c1-27-20-18(23(26)25-14-17-5-4-12-31-17)13-19(21(28-2)22(20)29-3)30-16-8-6-15(7-9-16)10-11-24/h4-9,12-13H,10-11,14,24H2,1-3H3,(H,25,26)
InChIKeyPWGXAOMTKJEMKD-UHFFFAOYSA-N
XLogP4.00
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 171386506
5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 171910011
5-[4-(2-aminoethyl)phenoxy]-N-(2,3-dihydro-1H-inden-2-yl)-2,3,4-trimethoxybenzamide
CID 171388001
5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
CID 171908519
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
CID 171916109
5-[4-(2-aminoethyl)phenoxy]-N-(2-ethyl-6-methylphenyl)-2,3,4-trimethoxybenzamide
CID 171910548
5-[4-(2-aminoethyl)phenoxy]-N-cyclopent-2-en-1-yl-2,3,4-trimethoxybenzamide
CID 172674388
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 171386046
5-[4-(2-aminoethyl)phenoxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3,4-trimethoxybenzamide;dihydrochloride
CID 171992013
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide (CID 171386529) is 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide is COc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2cccs2)c(OC)c1OC.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PWGXAOMTKJEMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-27-20-18(23(26)25-14-17-5-4-12-31-17)13-19(21(28-2)22(20)29-3)30-16-8-6-15(7-9-16)10-11-24/h4-9,12-13H,10-11,14,24H2,1-3H3,(H,25,26).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 442.54 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 171386529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).