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

C28H25FN2O2S — CID 71462745

IUPAC2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C(c1ccccc1C)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C28H25FN2O2S/c1-19-9-3-5-14-24(19)27(28(33)30-25-15-6-4-10-20(25)2)31(22-12-7-11-21(29)17-22)26(32)18-23-13-8-16-34-23/h3-17,27H,18H2,1-2H3,(H,30,33)
InChIKeyIVAPCPGMYFAGCH-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.46
Rot. Bonds7

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

2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide (PubChem CID 71462745) has the molecular formula C28H25FN2O2S and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide
PubChem CID71462745
Molecular FormulaC28H25FN2O2S
Molecular Weight472.59 g/mol
Exact Mass472.16
IUPAC Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C(c1ccccc1C)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C28H25FN2O2S/c1-19-9-3-5-14-24(19)27(28(33)30-25-15-6-4-10-20(25)2)31(22-12-7-11-21(29)17-22)26(32)18-23-13-8-16-34-23/h3-17,27H,18H2,1-2H3,(H,30,33)
InChIKeyIVAPCPGMYFAGCH-UHFFFAOYSA-N
XLogP6.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Verosudil
CID 66906051
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CID 15308000
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CID 155566355
2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-7-yl)-2-thiophen-3-ylacetamide
CID 162645243
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3202856
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CID 15307998
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide (CID 71462745) is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C(c1ccccc1C)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide?
The InChIKey is IVAPCPGMYFAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2S/c1-19-9-3-5-14-24(19)27(28(33)30-25-15-6-4-10-20(25)2)31(22-12-7-11-21(29)17-22)26(32)18-23-13-8-16-34-23/h3-17,27H,18H2,1-2H3,(H,30,33).
What are the key properties of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide?
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N,2-bis(2-methylphenyl)acetamide is sourced from PubChem (CID 71462745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).