(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide

C30H28N2O3S — CID 1434311

IUPAC(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C30H28N2O3S/c1-21-9-6-7-13-27(21)29(30(35)31-20-23-10-4-3-5-11-23)32(28(34)19-26-12-8-18-36-26)25-16-14-24(15-17-25)22(2)33/h3-18,29H,19-20H2,1-2H3,(H,31,35)/t29-/m1/s1
InChIKeyJMLMCMHHYKZVOU-GDLZYMKVSA-N
MW496.63 g/mol
LogP5.89
Rot. Bonds9

About (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide

(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide (PubChem CID 1434311) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
PubChem CID1434311
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC Name(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C30H28N2O3S/c1-21-9-6-7-13-27(21)29(30(35)31-20-23-10-4-3-5-11-23)32(28(34)19-26-12-8-18-36-26)25-16-14-24(15-17-25)22(2)33/h3-18,29H,19-20H2,1-2H3,(H,31,35)/t29-/m1/s1
InChIKeyJMLMCMHHYKZVOU-GDLZYMKVSA-N
XLogP5.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
(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
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 3202565
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide?
The IUPAC name of (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide (CID 1434311) is (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide is CC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide?
The InChIKey is JMLMCMHHYKZVOU-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H28N2O3S/c1-21-9-6-7-13-27(21)29(30(35)31-20-23-10-4-3-5-11-23)32(28(34)19-26-12-8-18-36-26)25-16-14-24(15-17-25)22(2)33/h3-18,29H,19-20H2,1-2H3,(H,31,35)/t29-/m1/s1.
What are the key properties of (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide?
(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide has a molecular weight of 496.63 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 1434311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).