N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

C25H25FN2O2S — CID 71459238

IUPACN-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2S/c1-17-7-2-3-13-22(17)24(25(30)27-19-9-5-10-19)28(20-11-4-8-18(26)15-20)23(29)16-21-12-6-14-31-21/h2-4,6-8,11-15,19,24H,5,9-10,16H2,1H3,(H,27,30)
InChIKeyKOJQFPSPRBLOAU-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.18
Rot. Bonds7

About N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 71459238) has the molecular formula C25H25FN2O2S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID71459238
Molecular FormulaC25H25FN2O2S
Molecular Weight436.55 g/mol
Exact Mass436.16
IUPAC NameN-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2S/c1-17-7-2-3-13-22(17)24(25(30)27-19-9-5-10-19)28(20-11-4-8-18(26)15-20)23(29)16-21-12-6-14-31-21/h2-4,6-8,11-15,19,24H,5,9-10,16H2,1H3,(H,27,30)
InChIKeyKOJQFPSPRBLOAU-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 71459238) is N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is KOJQFPSPRBLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2S/c1-17-7-2-3-13-22(17)24(25(30)27-19-9-5-10-19)28(20-11-4-8-18(26)15-20)23(29)16-21-12-6-14-31-21/h2-4,6-8,11-15,19,24H,5,9-10,16H2,1H3,(H,27,30).
What are the key properties of N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 436.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 71459238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).