2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide

C28H32N2O3S — CID 3202675

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C28H32N2O3S/c1-2-33-24-16-14-22(15-17-24)27(28(32)29-23-11-6-7-12-23)30(20-21-9-4-3-5-10-21)26(31)19-25-13-8-18-34-25/h3-5,8-10,13-18,23,27H,2,6-7,11-12,19-20H2,1H3,(H,29,32)
InChIKeyRDKZMTVNAZEMNN-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.52
Rot. Bonds10

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide (PubChem CID 3202675) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
PubChem CID3202675
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C28H32N2O3S/c1-2-33-24-16-14-22(15-17-24)27(28(32)29-23-11-6-7-12-23)30(20-21-9-4-3-5-10-21)26(31)19-25-13-8-18-34-25/h3-5,8-10,13-18,23,27H,2,6-7,11-12,19-20H2,1H3,(H,29,32)
InChIKeyRDKZMTVNAZEMNN-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide 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

(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
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
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3745052
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide (CID 3202675) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide?
The InChIKey is RDKZMTVNAZEMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-2-33-24-16-14-22(15-17-24)27(28(32)29-23-11-6-7-12-23)30(20-21-9-4-3-5-10-21)26(31)19-25-13-8-18-34-25/h3-5,8-10,13-18,23,27H,2,6-7,11-12,19-20H2,1H3,(H,29,32).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide has a molecular weight of 476.64 g/mol, XLogP of 5.52, 10 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3202675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).