methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate

C12H11NO3S2 — CID 43408027

IUPACmethyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11NO3S2/c1-16-12(15)11-9(3-5-18-11)13-10(14)6-8-2-4-17-7-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFJFODWSOPPXAGW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds4

About methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate

methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 43408027) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID43408027
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Namemethyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11NO3S2/c1-16-12(15)11-9(3-5-18-11)13-10(14)6-8-2-4-17-7-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFJFODWSOPPXAGW-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate 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 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-(3-methylpentanoylamino)thiophene-2-carboxylate
CID 114875732
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate
CID 43408089
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[[2-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 36711210

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate (CID 43408027) is methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1ccsc1.
What is the InChIKey of methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is FJFODWSOPPXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(3-5-18-11)13-10(14)6-8-2-4-17-7-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 43408027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).