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

C23H23FN2O2S2 — CID 3202486

IUPACN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2S2/c24-17-5-3-8-19(13-17)26(21(27)14-20-9-4-11-30-20)22(16-10-12-29-15-16)23(28)25-18-6-1-2-7-18/h3-5,8-13,15,18,22H,1-2,6-7,14H2,(H,25,28)
InChIKeyFQFXGOIBBNINQP-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.32
Rot. Bonds7

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

N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide (PubChem CID 3202486) 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-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide
PubChem CID3202486
Molecular FormulaC23H23FN2O2S2
Molecular Weight442.58 g/mol
Exact Mass442.12
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2S2/c24-17-5-3-8-19(13-17)26(21(27)14-20-9-4-11-30-20)22(16-10-12-29-15-16)23(28)25-18-6-1-2-7-18/h3-5,8-13,15,18,22H,1-2,6-7,14H2,(H,25,28)
InChIKeyFQFXGOIBBNINQP-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-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3202856
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216707
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216714
N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56832448
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56923423
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
N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71459238
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide
CID 71462745
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(3-fluoro-phenyl)-amide
CID 1433196
(Z)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dithiophen-2-ylprop-2-enamide
CID 2354216
N-Benzyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3201893

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide (CID 3202486) is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)C(c1ccsc1)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-3-ylacetamide?
The InChIKey is FQFXGOIBBNINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S2/c24-17-5-3-8-19(13-17)26(21(27)14-20-9-4-11-30-20)22(16-10-12-29-15-16)23(28)25-18-6-1-2-7-18/h3-5,8-13,15,18,22H,1-2,6-7,14H2,(H,25,28).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-3-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-3-ylacetamide is sourced from PubChem (CID 3202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).