(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C27H24N2O2S — CID 1434572

IUPAC(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C27H24N2O2S/c30-25(19-24-17-10-18-32-24)29(23-15-8-3-9-16-23)26(22-13-6-2-7-14-22)27(31)28-20-21-11-4-1-5-12-21/h1-18,26H,19-20H2,(H,28,31)/t26-/m0/s1
InChIKeyAEAAQHMZDTZZOE-SANMLTNESA-N
MW440.57 g/mol
LogP5.38
Rot. Bonds8

About (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 1434572) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID1434572
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC Name(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C27H24N2O2S/c30-25(19-24-17-10-18-32-24)29(23-15-8-3-9-16-23)26(22-13-6-2-7-14-22)27(31)28-20-21-11-4-1-5-12-21/h1-18,26H,19-20H2,(H,28,31)/t26-/m0/s1
InChIKeyAEAAQHMZDTZZOE-SANMLTNESA-N
XLogP5.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
CID 1434542
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
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-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3216673
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
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 1434572) is (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is AEAAQHMZDTZZOE-SANMLTNESA-N. The full InChI is InChI=1S/C27H24N2O2S/c30-25(19-24-17-10-18-32-24)29(23-15-8-3-9-16-23)26(22-13-6-2-7-14-22)27(31)28-20-21-11-4-1-5-12-21/h1-18,26H,19-20H2,(H,28,31)/t26-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 440.57 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 1434572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).