[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C13H13NO4S — CID 2344662

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccco2)s1
InChIInChI=1S/C13H13NO4S/c1-9-4-5-11(19-9)13(16)18-8-12(15)14-7-10-3-2-6-17-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyAZCQNYUYYYCTAH-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.12
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2344662) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2344662
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccco2)s1
InChIInChI=1S/C13H13NO4S/c1-9-4-5-11(19-9)13(16)18-8-12(15)14-7-10-3-2-6-17-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyAZCQNYUYYYCTAH-UHFFFAOYSA-N
XLogP2.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
4-bromo-5-ethyl-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1247646
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
[2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2488871
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 5844207
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
N-[2-(phenylsulfanyl)ethyl]furan-2-carboxamide
CID 644444
Thiophene-2-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-(2-methoxy-phenyl)-methyl ester
CID 646791
Furan-2-carboxylic acid 1-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl ester
CID 651235
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2344662) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NCc2ccco2)s1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is AZCQNYUYYYCTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9-4-5-11(19-9)13(16)18-8-12(15)14-7-10-3-2-6-17-10/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2344662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).