N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

C28H25FN2O2S — CID 3201952

IUPACN-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C28H25FN2O2S/c1-20-14-15-23(17-25(20)29)31(26(32)18-24-13-8-16-34-24)27(22-11-6-3-7-12-22)28(33)30-19-21-9-4-2-5-10-21/h2-17,27H,18-19H2,1H3,(H,30,33)
InChIKeyHLQOUUQCGIEPBH-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.83
Rot. Bonds8

About N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3201952) has the molecular formula C28H25FN2O2S and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3201952
Molecular FormulaC28H25FN2O2S
Molecular Weight472.59 g/mol
Exact Mass472.16
IUPAC NameN-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C28H25FN2O2S/c1-20-14-15-23(17-25(20)29)31(26(32)18-24-13-8-16-34-24)27(22-11-6-3-7-12-22)28(33)30-19-21-9-4-2-5-10-21/h2-17,27H,18-19H2,1H3,(H,30,33)
InChIKeyHLQOUUQCGIEPBH-UHFFFAOYSA-N
XLogP5.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
CID 1434542
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1434311
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434321
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 1434299
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (CID 3201952) is N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is Cc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is HLQOUUQCGIEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2S/c1-20-14-15-23(17-25(20)29)31(26(32)18-24-13-8-16-34-24)27(22-11-6-3-7-12-22)28(33)30-19-21-9-4-2-5-10-21/h2-17,27H,18-19H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 472.59 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3201952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).