methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O4S — CID 24818729

IUPACmethyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCOc1ccccc1NC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-15(19)17-11-8-9-22-13(11)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeySHQKAIFVXBEYBK-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.58
Rot. Bonds5

About methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24818729) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24818729
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCOc1ccccc1NC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-15(19)17-11-8-9-22-13(11)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeySHQKAIFVXBEYBK-UHFFFAOYSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24818729) is methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is CCOc1ccccc1NC(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is SHQKAIFVXBEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-15(19)17-11-8-9-22-13(11)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24818729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).