[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

C13H12N2O4S2 — CID 2568311

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H12N2O4S2/c1-7-2-4-20-10(7)13(18)19-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHBSVYAQHBPRWHF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.01
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2568311) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2568311
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H12N2O4S2/c1-7-2-4-20-10(7)13(18)19-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHBSVYAQHBPRWHF-UHFFFAOYSA-N
XLogP2.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2568311) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is HBSVYAQHBPRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-7-2-4-20-10(7)13(18)19-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2568311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).