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

C25H26FN3O2S — CID 25310452

IUPAC(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)/t24-/m1/s1
InChIKeyBCSGSAFLCUUYFE-XMMPIXPASA-N
MW451.57 g/mol
LogP5.05
Rot. Bonds7

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

(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide (PubChem CID 25310452) has the molecular formula C25H26FN3O2S and a molecular weight of 451.57 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
PubChem CID25310452
Molecular FormulaC25H26FN3O2S
Molecular Weight451.57 g/mol
Exact Mass451.17
IUPAC Name(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)/t24-/m1/s1
InChIKeyBCSGSAFLCUUYFE-XMMPIXPASA-N
XLogP5.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
CID 3191151
N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
CID 3191201
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(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)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
methyl 4-[[(1R)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 25309584
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide (CID 25310452) is (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide is O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The InChIKey is BCSGSAFLCUUYFE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26FN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)/t24-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide has a molecular weight of 451.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 25310452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).