ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate

C12H13NO3S2 — CID 78916963

IUPACethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO3S2/c1-3-16-11(14)7-13(2)12(15)10-6-9-8(18-10)4-5-17-9/h4-6H,3,7H2,1-2H3
InChIKeySKKRGENNIIZGLZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.60
Rot. Bonds4

About ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate

ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (PubChem CID 78916963) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
PubChem CID78916963
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Nameethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO3S2/c1-3-16-11(14)7-13(2)12(15)10-6-9-8(18-10)4-5-17-9/h4-6H,3,7H2,1-2H3
InChIKeySKKRGENNIIZGLZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 80744655
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
ethyl 2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(methyl)amino]acetate
CID 55003287
methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 80718192
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
CID 80745942
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (CID 78916963) is ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1cc2sccc2s1.
What is the InChIKey of ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The InChIKey is SKKRGENNIIZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-3-16-11(14)7-13(2)12(15)10-6-9-8(18-10)4-5-17-9/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate has a molecular weight of 283.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is sourced from PubChem (CID 78916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).