methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate

C20H21NO5S — CID 167958174

IUPACmethyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCC2
InChIInChI=1S/C20H21NO5S/c1-12-6-8-13(9-7-12)19(24)18-14-4-3-5-15(14)27-20(18)21-16(22)10-26-11-17(23)25-2/h6-9H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyALTYTNMAXPZFPC-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.90
Rot. Bonds7

About methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate

methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate (PubChem CID 167958174) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate
PubChem CID167958174
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Namemethyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCC2
InChIInChI=1S/C20H21NO5S/c1-12-6-8-13(9-7-12)19(24)18-14-4-3-5-15(14)27-20(18)21-16(22)10-26-11-17(23)25-2/h6-9H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyALTYTNMAXPZFPC-UHFFFAOYSA-N
XLogP2.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16521463
methyl 2-[[2-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4090137
methyl 5-oxo-5-[[3-(pyridine-4-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]pentanoate
CID 154795505
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773178
methyl 2-[3-(4-methylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19220490
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860284
methyl 2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16539862
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 2447795
2-[2-[[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetic acid
CID 17377394
methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 978706
ethyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7775841
methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 28637903

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate (CID 167958174) is methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate is COC(=O)COCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCC2.
What is the InChIKey of methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate?
The InChIKey is ALTYTNMAXPZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-12-6-8-13(9-7-12)19(24)18-14-4-3-5-15(14)27-20(18)21-16(22)10-26-11-17(23)25-2/h6-9H,3-5,10-11H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate?
methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate has a molecular weight of 387.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[3-(4-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-2-oxoethoxy]acetate is sourced from PubChem (CID 167958174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).