ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate

C24H25NO5S — CID 59785717

IUPACethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccccc2NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C24H25NO5S/c1-4-30-24(27)15-17-10-12-22(31-17)18-7-5-6-8-19(18)25-23(26)14-16-9-11-20(28-2)21(13-16)29-3/h5-13H,4,14-15H2,1-3H3,(H,25,26)
InChIKeySEQYOGWSYYJPKT-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.72
Rot. Bonds9

About ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate

ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate (PubChem CID 59785717) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate
PubChem CID59785717
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Nameethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccccc2NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C24H25NO5S/c1-4-30-24(27)15-17-10-12-22(31-17)18-7-5-6-8-19(18)25-23(26)14-16-9-11-20(28-2)21(13-16)29-3/h5-13H,4,14-15H2,1-3H3,(H,25,26)
InChIKeySEQYOGWSYYJPKT-UHFFFAOYSA-N
XLogP4.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

hydroxymethyl 2-[5-[2-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate
CID 58318525
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7959307
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
2-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 121149074
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate (CID 59785717) is ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate is CCOC(=O)Cc1ccc(-c2ccccc2NC(=O)Cc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate?
The InChIKey is SEQYOGWSYYJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-4-30-24(27)15-17-10-12-22(31-17)18-7-5-6-8-19(18)25-23(26)14-16-9-11-20(28-2)21(13-16)29-3/h5-13H,4,14-15H2,1-3H3,(H,25,26).
What are the key properties of ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate?
ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate has a molecular weight of 439.53 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]thiophen-2-yl]acetate is sourced from PubChem (CID 59785717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).