N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

C28H25FN2O2S — CID 3201948

IUPACN-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1
InChIInChI=1S/C28H25FN2O2S/c29-24-15-13-22(14-16-24)20-31(26(32)18-25-12-7-17-34-25)27(23-10-5-2-6-11-23)28(33)30-19-21-8-3-1-4-9-21/h1-17,27H,18-20H2,(H,30,33)
InChIKeyWRTOCDCUIMAQMS-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.52
Rot. Bonds9

About N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (PubChem CID 3201948) has the molecular formula C28H25FN2O2S and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
PubChem CID3201948
Molecular FormulaC28H25FN2O2S
Molecular Weight472.59 g/mol
Exact Mass472.16
IUPAC NameN-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1
InChIInChI=1S/C28H25FN2O2S/c29-24-15-13-22(14-16-24)20-31(26(32)18-25-12-7-17-34-25)27(23-10-5-2-6-11-23)28(33)30-19-21-8-3-1-4-9-21/h1-17,27H,18-20H2,(H,30,33)
InChIKeyWRTOCDCUIMAQMS-UHFFFAOYSA-N
XLogP5.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 51686529
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 1434299
2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237149
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (CID 3201948) is N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is O=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The InChIKey is WRTOCDCUIMAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2S/c29-24-15-13-22(14-16-24)20-31(26(32)18-25-12-7-17-34-25)27(23-10-5-2-6-11-23)28(33)30-19-21-8-3-1-4-9-21/h1-17,27H,18-20H2,(H,30,33).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide has a molecular weight of 472.59 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 3201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).