methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate

C14H12N2O4S — CID 2806359

IUPACmethyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O4S/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyQVZGORBNHDCLFW-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.50
Rot. Bonds3

About methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate

methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate (PubChem CID 2806359) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate
PubChem CID2806359
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Namemethyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O4S/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyQVZGORBNHDCLFW-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate (CID 2806359) is methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)NC(=O)c2cccs2)c1.
What is the InChIKey of methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate?
The InChIKey is QVZGORBNHDCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-13(18)9-4-2-5-10(8-9)15-14(19)16-12(17)11-6-3-7-21-11/h2-8H,1H3,(H2,15,16,17,19).
What are the key properties of methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate?
methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate has a molecular weight of 304.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(thiophene-2-carbonylcarbamoylamino)benzoate is sourced from PubChem (CID 2806359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).