(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide

C23H23FN2O2S2 — CID 1435964

IUPAC(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S2/c24-16-9-11-18(12-10-16)26(21(27)15-19-7-3-13-29-19)22(20-8-4-14-30-20)23(28)25-17-5-1-2-6-17/h3-4,7-14,17,22H,1-2,5-6,15H2,(H,25,28)/t22-/m0/s1
InChIKeyXMAQWYPUZHYFIU-QFIPXVFZSA-N
MW442.58 g/mol
LogP5.32
Rot. Bonds7

About (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide

(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide (PubChem CID 1435964) has the molecular formula C23H23FN2O2S2 and a molecular weight of 442.58 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
PubChem CID1435964
Molecular FormulaC23H23FN2O2S2
Molecular Weight442.58 g/mol
Exact Mass442.12
IUPAC Name(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S2/c24-16-9-11-18(12-10-16)26(21(27)15-19-7-3-13-29-19)22(20-8-4-14-30-20)23(28)25-17-5-1-2-6-17/h3-4,7-14,17,22H,1-2,5-6,15H2,(H,25,28)/t22-/m0/s1
InChIKeyXMAQWYPUZHYFIU-QFIPXVFZSA-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

(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
CID 25310452
N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
CID 3191201
(2S)-N-cyclohexyl-2-(4-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 1430249
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 1167860
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1435992
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 1152354
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The IUPAC name of (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide (CID 1435964) is (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
The InChIKey is XMAQWYPUZHYFIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN2O2S2/c24-16-9-11-18(12-10-16)26(21(27)15-19-7-3-13-29-19)22(20-8-4-14-30-20)23(28)25-17-5-1-2-6-17/h3-4,7-14,17,22H,1-2,5-6,15H2,(H,25,28)/t22-/m0/s1.
What are the key properties of (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide?
(2R)-N-cyclopentyl-2-(4-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 (2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).