[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate

C13H13NO4S — CID 654796

IUPAC[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCC(OC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyDSJWTLXLBZZHKR-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.20
Rot. Bonds5

About [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate

[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate (PubChem CID 654796) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
PubChem CID654796
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCC(OC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyDSJWTLXLBZZHKR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2576955
[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 1470232
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 18091294
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate (CID 654796) is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate is CC(OC(=O)c1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The InChIKey is DSJWTLXLBZZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 654796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).