N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

C26H27FN2O2S — CID 3202856

IUPACN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H27FN2O2S/c1-18-8-2-5-14-23(18)25(26(31)28-20-10-3-4-11-20)29(21-12-6-9-19(27)16-21)24(30)17-22-13-7-15-32-22/h2,5-9,12-16,20,25H,3-4,10-11,17H2,1H3,(H,28,31)
InChIKeyFMROPZMGAOICAF-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.57
Rot. Bonds7

About N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 3202856) has the molecular formula C26H27FN2O2S and a molecular weight of 450.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID3202856
Molecular FormulaC26H27FN2O2S
Molecular Weight450.58 g/mol
Exact Mass450.18
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H27FN2O2S/c1-18-8-2-5-14-23(18)25(26(31)28-20-10-3-4-11-20)29(21-12-6-9-19(27)16-21)24(30)17-22-13-7-15-32-22/h2,5-9,12-16,20,25H,3-4,10-11,17H2,1H3,(H,28,31)
InChIKeyFMROPZMGAOICAF-UHFFFAOYSA-N
XLogP5.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 3202856) is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is FMROPZMGAOICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2S/c1-18-8-2-5-14-23(18)25(26(31)28-20-10-3-4-11-20)29(21-12-6-9-19(27)16-21)24(30)17-22-13-7-15-32-22/h2,5-9,12-16,20,25H,3-4,10-11,17H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 450.58 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 3202856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).