5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid

C20H21NO4S2 — CID 71798249

IUPAC5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1
InChIInChI=1S/C20H21NO4S2/c22-19(12-15(13-20(23)24)18-6-3-11-27-18)21(14-16-4-1-9-25-16)8-7-17-5-2-10-26-17/h1-6,9-11,15H,7-8,12-14H2,(H,23,24)
InChIKeyKIPDVZVDLILQFQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.62
Rot. Bonds10

About 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid

5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid (PubChem CID 71798249) has the molecular formula C20H21NO4S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid
PubChem CID71798249
Molecular FormulaC20H21NO4S2
Molecular Weight403.53 g/mol
Exact Mass403.09
IUPAC Name5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)CC(CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1
InChIInChI=1S/C20H21NO4S2/c22-19(12-15(13-20(23)24)18-6-3-11-27-18)21(14-16-4-1-9-25-16)8-7-17-5-2-10-26-17/h1-6,9-11,15H,7-8,12-14H2,(H,23,24)
InChIKeyKIPDVZVDLILQFQ-UHFFFAOYSA-N
XLogP4.62
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid 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

3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 94708709
2-(2-fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 71781332
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 71781319
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775

Frequently Asked Questions

What is the IUPAC name of 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid?
The IUPAC name of 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid (CID 71798249) is 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid is O=C(O)CC(CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1.
What is the InChIKey of 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid?
The InChIKey is KIPDVZVDLILQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S2/c22-19(12-15(13-20(23)24)18-6-3-11-27-18)21(14-16-4-1-9-25-16)8-7-17-5-2-10-26-17/h1-6,9-11,15H,7-8,12-14H2,(H,23,24).
What are the key properties of 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid?
5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid has a molecular weight of 403.53 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 71798249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).