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

C25H27FN2O2S — CID 56832448

IUPACN-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H27FN2O2S/c1-17-9-5-6-13-21(17)23(24(30)27-25(2,3)4)28(19-11-7-10-18(26)15-19)22(29)16-20-12-8-14-31-20/h5-15,23H,16H2,1-4H3,(H,27,30)
InChIKeyPAZJBVFXRYEEQB-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.43
Rot. Bonds6

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

N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56832448) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID56832448
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC NameN-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H27FN2O2S/c1-17-9-5-6-13-21(17)23(24(30)27-25(2,3)4)28(19-11-7-10-18(26)15-19)22(29)16-20-12-8-14-31-20/h5-15,23H,16H2,1-4H3,(H,27,30)
InChIKeyPAZJBVFXRYEEQB-UHFFFAOYSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 56832448) is N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is PAZJBVFXRYEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-17-9-5-6-13-21(17)23(24(30)27-25(2,3)4)28(19-11-7-10-18(26)15-19)22(29)16-20-12-8-14-31-20/h5-15,23H,16H2,1-4H3,(H,27,30).
What are the key properties of N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56832448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).