N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide

C26H26F2N2O2S — CID 3215244

IUPACN-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O2S/c27-20-8-6-19(7-9-20)25(26(32)29-22-4-2-1-3-5-22)30(23-12-10-21(28)11-13-23)24(31)16-18-14-15-33-17-18/h6-15,17,22,25H,1-5,16H2,(H,29,32)
InChIKeyLCDTZVWYGFPOLV-UHFFFAOYSA-N
MW468.57 g/mol
LogP5.79
Rot. Bonds7

About N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide

N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide (PubChem CID 3215244) has the molecular formula C26H26F2N2O2S and a molecular weight of 468.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide
PubChem CID3215244
Molecular FormulaC26H26F2N2O2S
Molecular Weight468.57 g/mol
Exact Mass468.17
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O2S/c27-20-8-6-19(7-9-20)25(26(32)29-22-4-2-1-3-5-22)30(23-12-10-21(28)11-13-23)24(31)16-18-14-15-33-17-18/h6-15,17,22,25H,1-5,16H2,(H,29,32)
InChIKeyLCDTZVWYGFPOLV-UHFFFAOYSA-N
XLogP5.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8197605
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CID 151826414
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
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4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
CID 122196547
CID 122196547
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 3202856
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CID 3216707
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N-[[5-(2-fluorophenyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide (CID 3215244) is N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide is O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)Cc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The InChIKey is LCDTZVWYGFPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2S/c27-20-8-6-19(7-9-20)25(26(32)29-22-4-2-1-3-5-22)30(23-12-10-21(28)11-13-23)24(31)16-18-14-15-33-17-18/h6-15,17,22,25H,1-5,16H2,(H,29,32).
What are the key properties of N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide has a molecular weight of 468.57 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)-2-(4-fluoro-N-(2-thiophen-3-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3215244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).