N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

C26H30N2O3S — CID 3202473

IUPACN-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1
InChIInChI=1S/C26H30N2O3S/c1-17-10-11-18(2)22(15-17)28(24(29)16-21-9-6-14-32-21)25(23-13-12-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30)
InChIKeyGWYCBCRCXHVDMR-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.64
Rot. Bonds7

About N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3202473) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
PubChem CID3202473
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1
InChIInChI=1S/C26H30N2O3S/c1-17-10-11-18(2)22(15-17)28(24(29)16-21-9-6-14-32-21)25(23-13-12-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30)
InChIKeyGWYCBCRCXHVDMR-UHFFFAOYSA-N
XLogP5.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (CID 3202473) is N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C)c(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1.
What is the InChIKey of N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is GWYCBCRCXHVDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-17-10-11-18(2)22(15-17)28(24(29)16-21-9-6-14-32-21)25(23-13-12-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 450.60 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3202473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).