N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide

C23H23FN2O2S2 — CID 3202507

IUPACN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2S2/c24-16-6-3-9-18(14-16)26(21(27)15-19-10-4-12-29-19)22(20-11-5-13-30-20)23(28)25-17-7-1-2-8-17/h3-6,9-14,17,22H,1-2,7-8,15H2,(H,25,28)
InChIKeyGUGYJMDFXGYDGA-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.32
Rot. Bonds7

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

N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide (PubChem CID 3202507) has the molecular formula C23H23FN2O2S2 and a molecular weight of 442.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
PubChem CID3202507
Molecular FormulaC23H23FN2O2S2
Molecular Weight442.58 g/mol
Exact Mass442.12
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2S2/c24-16-6-3-9-18(14-16)26(21(27)15-19-10-4-12-29-19)22(20-11-5-13-30-20)23(28)25-17-7-1-2-8-17/h3-6,9-14,17,22H,1-2,7-8,15H2,(H,25,28)
InChIKeyGUGYJMDFXGYDGA-UHFFFAOYSA-N
XLogP5.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3202856
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057382
(2S)-N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057634
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(3-fluoro-phenyl)-amide
CID 1433196
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]acetamide
CID 2174082
(Z)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dithiophen-2-ylprop-2-enamide
CID 2354216
N~2~-{2-[4-(2-Fluorophenyl)piperazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 2622886
N-Cyclopentyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202491

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide (CID 3202507) is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The InChIKey is GUGYJMDFXGYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S2/c24-16-6-3-9-18(14-16)26(21(27)15-19-10-4-12-29-19)22(20-11-5-13-30-20)23(28)25-17-7-1-2-8-17/h3-6,9-14,17,22H,1-2,7-8,15H2,(H,25,28).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide has a molecular weight of 442.58 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3202507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).