methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate

C11H11NO4S — CID 16639324

IUPACmethyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc2c1CCC2=O
InChIInChI=1S/C11H11NO4S/c1-5(13)12-10-8(11(15)16-2)6-3-4-7(14)9(6)17-10/h3-4H2,1-2H3,(H,12,13)
InChIKeyIPROVRRWYLRFEO-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate

methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate (PubChem CID 16639324) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
PubChem CID16639324
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Namemethyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc2c1CCC2=O
InChIInChI=1S/C11H11NO4S/c1-5(13)12-10-8(11(15)16-2)6-3-4-7(14)9(6)17-10/h3-4H2,1-2H3,(H,12,13)
InChIKeyIPROVRRWYLRFEO-UHFFFAOYSA-N
XLogP1.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
CID 16639326
methyl 2-[(2-chloroacetyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 91691049
ethyl 2-acetamido-7-[(2-acetamido-3-ethoxycarbonyl-5,6-dihydro-4H-1-benzothiophen-7-ylidene)hydrazinylidene]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 4872732
ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 2830694
ethyl 2-acetamido-7-oxo-6-thiocyanato-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 3124073
methyl 2-acetamido-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22339816
6-O-tert-butyl 3-O-methyl 2-acetamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 71007517
ethyl 2-[[2-(diethylamino)acetyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 3123927
methyl 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5055195
methyl 2-[[4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3374203
dimethyl 3-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)oxymethyl]-5-aminothiophene-2,4-dicarboxylate
CID 46792312
methyl 5-amino-2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146284326

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate (CID 16639324) is methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(C)=O)sc2c1CCC2=O.
What is the InChIKey of methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
The InChIKey is IPROVRRWYLRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-5(13)12-10-8(11(15)16-2)6-3-4-7(14)9(6)17-10/h3-4H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate?
methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate has a molecular weight of 253.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 16639324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).