methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate

C12H17NO4S — CID 1246423

IUPACmethyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)OCC)s1
InChIInChI=1S/C12H17NO4S/c1-4-6-8-7-9(11(14)16-3)10(18-8)13-12(15)17-5-2/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyGPOFPDQIDIOTCD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.06
Rot. Bonds5

About methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate

methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate (PubChem CID 1246423) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate
PubChem CID1246423
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Namemethyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)OCC)s1
InChIInChI=1S/C12H17NO4S/c1-4-6-8-7-9(11(14)16-3)10(18-8)13-12(15)17-5-2/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyGPOFPDQIDIOTCD-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate (CID 1246423) is methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OC)c(NC(=O)OCC)s1.
What is the InChIKey of methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate?
The InChIKey is GPOFPDQIDIOTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-6-8-7-9(11(14)16-3)10(18-8)13-12(15)17-5-2/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate?
methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethoxycarbonylamino)-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 1246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).