dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

C20H21NO7S — CID 2879066

IUPACdimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1C(C(=O)OC)CC2
InChIInChI=1S/C20H21NO7S/c1-25-11-6-5-7-12(26-2)15(11)17(22)21-18-16(20(24)28-4)14-10(19(23)27-3)8-9-13(14)29-18/h5-7,10H,8-9H2,1-4H3,(H,21,22)
InChIKeyDOYCIISALCHSSA-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.01
Rot. Bonds6

About dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (PubChem CID 2879066) has the molecular formula C20H21NO7S and a molecular weight of 419.46 g/mol. Its IUPAC name is dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
PubChem CID2879066
Molecular FormulaC20H21NO7S
Molecular Weight419.46 g/mol
Exact Mass419.10
IUPAC Namedimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1C(C(=O)OC)CC2
InChIInChI=1S/C20H21NO7S/c1-25-11-6-5-7-12(26-2)15(11)17(22)21-18-16(20(24)28-4)14-10(19(23)27-3)8-9-13(14)29-18/h5-7,10H,8-9H2,1-4H3,(H,21,22)
InChIKeyDOYCIISALCHSSA-UHFFFAOYSA-N
XLogP3.01
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate with MolForge

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,6-dimethoxybenzamide
CID 686671
2-[(2,6-Dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
2-Phenylacetylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid
CID 2789253
Methyl 5-(diethylcarbamoyl)-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1221958
Methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 1088392
dimethyl 3-methyl-5-[(9H-xanthen-9-ylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 1292005
2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1548116
methyl 2-{[4-(2-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1564297
dimethyl 2-[(2-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 2788743
dimethyl 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 2790671
dimethyl 2-{[(2E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 5711142
dimethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 2789261

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CID 2879066) is dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1C(C(=O)OC)CC2.
What is the InChIKey of dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The InChIKey is DOYCIISALCHSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7S/c1-25-11-6-5-7-12(26-2)15(11)17(22)21-18-16(20(24)28-4)14-10(19(23)27-3)8-9-13(14)29-18/h5-7,10H,8-9H2,1-4H3,(H,21,22).
What are the key properties of dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate has a molecular weight of 419.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2,6-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is sourced from PubChem (CID 2879066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).