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

C15H17NO3S2 — CID 80718192

IUPACmethyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2sccc2s1)C1CCCC1
InChIInChI=1S/C15H17NO3S2/c1-19-14(17)9-16(10-4-2-3-5-10)15(18)13-8-12-11(21-13)6-7-20-12/h6-8,10H,2-5,9H2,1H3
InChIKeyGIRRFJIESIKVGD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds4

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

methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (PubChem CID 80718192) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
PubChem CID80718192
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Namemethyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cc2sccc2s1)C1CCCC1
InChIInChI=1S/C15H17NO3S2/c1-19-14(17)9-16(10-4-2-3-5-10)15(18)13-8-12-11(21-13)6-7-20-12/h6-8,10H,2-5,9H2,1H3
InChIKeyGIRRFJIESIKVGD-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]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-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
methyl 2-[cyclopentyl-(4-ethyl-5-methylthiophene-2-carbonyl)amino]acetate
CID 80718062
methyl 2-[cyclopentyl-(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 80718626
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745714
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115794767
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106626552
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
3-[tert-butyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80734116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (CID 80718192) is methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1cc2sccc2s1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The InChIKey is GIRRFJIESIKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-19-14(17)9-16(10-4-2-3-5-10)15(18)13-8-12-11(21-13)6-7-20-12/h6-8,10H,2-5,9H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate has a molecular weight of 323.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is sourced from PubChem (CID 80718192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).