methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate

C12H11NO3S2 — CID 831961

IUPACmethyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1sccc1C
InChIInChI=1S/C12H11NO3S2/c1-7-3-5-17-9(7)11(14)13-8-4-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyQEOMXUIPFXSQLF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds3

About methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 831961) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID831961
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Namemethyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1sccc1C
InChIInChI=1S/C12H11NO3S2/c1-7-3-5-17-9(7)11(14)13-8-4-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyQEOMXUIPFXSQLF-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Hts01037
CID 5714537
Methyl 3-(2-(2-thienyl)acetamido)thiophene-2-carboxylate
CID 2808202
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylate
CID 2808345
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343
Methyl 4-[(2,2-dimethylpropanoyl)amino]-2-methylthiophene-3-carboxylate
CID 2808346
Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-{[(4-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818738

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate (CID 831961) is methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1sccc1C.
What is the InChIKey of methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is QEOMXUIPFXSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-7-3-5-17-9(7)11(14)13-8-4-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 831961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).