[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

C17H17NO4S — CID 4828870

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H17NO4S/c1-21-13-7-3-2-6-12(13)18-16(19)10-22-17(20)15-9-11-5-4-8-14(11)23-15/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,18,19)
InChIKeyPNZCUZYLJSTYLW-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.04
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (PubChem CID 4828870) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
PubChem CID4828870
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H17NO4S/c1-21-13-7-3-2-6-12(13)18-16(19)10-22-17(20)15-9-11-5-4-8-14(11)23-15/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,18,19)
InChIKeyPNZCUZYLJSTYLW-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2099546
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342860
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
(5,6-Dihydro-4H-cyclopenta[b]thiophen-2-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 2566372
N-(2-ethoxyphenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2884776
N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 748470
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2085621
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348570
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 2349366

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (CID 4828870) is [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The InChIKey is PNZCUZYLJSTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-21-13-7-3-2-6-12(13)18-16(19)10-22-17(20)15-9-11-5-4-8-14(11)23-15/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,18,19).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate has a molecular weight of 331.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is sourced from PubChem (CID 4828870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).