N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide

C26H36N2O3S — CID 3202875

IUPACN-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
SMILESCCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(CC)cc1
InChIInChI=1S/C26H36N2O3S/c1-3-20-12-14-21(15-13-20)25(26(30)27-22-9-5-6-10-22)28(16-8-17-31-4-2)24(29)19-23-11-7-18-32-23/h7,11-15,18,22,25H,3-6,8-10,16-17,19H2,1-2H3,(H,27,30)
InChIKeyINALSVOBDSNCMJ-UHFFFAOYSA-N
MW456.65 g/mol
LogP4.91
Rot. Bonds12

About N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide

N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide (PubChem CID 3202875) has the molecular formula C26H36N2O3S and a molecular weight of 456.65 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
PubChem CID3202875
Molecular FormulaC26H36N2O3S
Molecular Weight456.65 g/mol
Exact Mass456.24
IUPAC NameN-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
SMILESCCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(CC)cc1
InChIInChI=1S/C26H36N2O3S/c1-3-20-12-14-21(15-13-20)25(26(30)27-22-9-5-6-10-22)28(16-8-17-31-4-2)24(29)19-23-11-7-18-32-23/h7,11-15,18,22,25H,3-6,8-10,16-17,19H2,1-2H3,(H,27,30)
InChIKeyINALSVOBDSNCMJ-UHFFFAOYSA-N
XLogP4.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.65
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3751458
N-cyclopentyl-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202729
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 3202654
(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 7383213

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide (CID 3202875) is N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide is CCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(CC)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide?
The InChIKey is INALSVOBDSNCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3S/c1-3-20-12-14-21(15-13-20)25(26(30)27-22-9-5-6-10-22)28(16-8-17-31-4-2)24(29)19-23-11-7-18-32-23/h7,11-15,18,22,25H,3-6,8-10,16-17,19H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide?
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide has a molecular weight of 456.65 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3202875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).