2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C25H28N2O3S — CID 3202445

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1
InChIInChI=1S/C25H28N2O3S/c1-18-13-14-22(30-18)24(25(29)26-20-10-5-6-11-20)27(17-19-8-3-2-4-9-19)23(28)16-21-12-7-15-31-21/h2-4,7-9,12-15,20,24H,5-6,10-11,16-17H2,1H3,(H,26,29)
InChIKeyVTHVXAJITGRBEX-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.02
Rot. Bonds8

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3202445) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
PubChem CID3202445
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1
InChIInChI=1S/C25H28N2O3S/c1-18-13-14-22(30-18)24(25(29)26-20-10-5-6-11-20)27(17-19-8-3-2-4-9-19)23(28)16-21-12-7-15-31-21/h2-4,7-9,12-15,20,24H,5-6,10-11,16-17H2,1H3,(H,26,29)
InChIKeyVTHVXAJITGRBEX-UHFFFAOYSA-N
XLogP5.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3202441
2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3751458
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 3202469
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 1435899
N-cyclopentyl-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202729
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202805

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 3202445) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is VTHVXAJITGRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18-13-14-22(30-18)24(25(29)26-20-10-5-6-11-20)27(17-19-8-3-2-4-9-19)23(28)16-21-12-7-15-31-21/h2-4,7-9,12-15,20,24H,5-6,10-11,16-17H2,1H3,(H,26,29).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3202445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).