methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate

C15H14N2O4S — CID 841141

IUPACmethyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(N)=O)c1C
InChIInChI=1S/C15H14N2O4S/c1-8-10(15(20)21-2)14(22-11(8)12(16)18)17-13(19)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJGDABUBLLIOSLM-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate

methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate (PubChem CID 841141) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
PubChem CID841141
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namemethyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(N)=O)c1C
InChIInChI=1S/C15H14N2O4S/c1-8-10(15(20)21-2)14(22-11(8)12(16)18)17-13(19)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJGDABUBLLIOSLM-UHFFFAOYSA-N
XLogP2.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate (CID 841141) is methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccccc2)sc(C(N)=O)c1C.
What is the InChIKey of methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The InChIKey is JGDABUBLLIOSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-8-10(15(20)21-2)14(22-11(8)12(16)18)17-13(19)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 841141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).