2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide

C26H28FN3O2S — CID 71461016

IUPAC2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
SMILESCc1ccccc1C(C(=O)NC1CCNCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H28FN3O2S/c1-18-6-2-3-10-23(18)25(26(32)29-20-11-13-28-14-12-20)30(21-8-4-7-19(27)16-21)24(31)17-22-9-5-15-33-22/h2-10,15-16,20,25,28H,11-14,17H2,1H3,(H,29,32)
InChIKeyKRRYVLQONAOZEE-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide

2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide (PubChem CID 71461016) has the molecular formula C26H28FN3O2S and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
PubChem CID71461016
Molecular FormulaC26H28FN3O2S
Molecular Weight465.59 g/mol
Exact Mass465.19
IUPAC Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
SMILESCc1ccccc1C(C(=O)NC1CCNCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H28FN3O2S/c1-18-6-2-3-10-23(18)25(26(32)29-20-11-13-28-14-12-20)30(21-8-4-7-19(27)16-21)24(31)17-22-9-5-15-33-22/h2-10,15-16,20,25,28H,11-14,17H2,1H3,(H,29,32)
InChIKeyKRRYVLQONAOZEE-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71457355
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 122537155
2-(3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]anilino)-2-(2-methylphenyl)-N-(oxan-4-yl)acetamide
CID 122537156
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
CID 3202820
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cycloheptyl-2-(2-methylphenyl)acetamide
CID 147804491
(2R)-N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-fluorophenyl)acetamide
CID 40786071

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide (CID 71461016) is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide is Cc1ccccc1C(C(=O)NC1CCNCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide?
The InChIKey is KRRYVLQONAOZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2S/c1-18-6-2-3-10-23(18)25(26(32)29-20-11-13-28-14-12-20)30(21-8-4-7-19(27)16-21)24(31)17-22-9-5-15-33-22/h2-10,15-16,20,25,28H,11-14,17H2,1H3,(H,29,32).
What are the key properties of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide?
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide has a molecular weight of 465.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 71461016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).