(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

C29H28N2O3S — CID 1434321

IUPAC(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C29H28N2O3S/c1-21-10-6-7-16-26(21)28(29(33)30-20-22-11-4-3-5-12-22)31(23-13-8-14-24(18-23)34-2)27(32)19-25-15-9-17-35-25/h3-18,28H,19-20H2,1-2H3,(H,30,33)/t28-/m1/s1
InChIKeyPZPLCIGHWJIDMT-MUUNZHRXSA-N
MW484.62 g/mol
LogP5.70
Rot. Bonds9

About (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 1434321) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID1434321
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C29H28N2O3S/c1-21-10-6-7-16-26(21)28(29(33)30-20-22-11-4-3-5-12-22)31(23-13-8-14-24(18-23)34-2)27(32)19-25-15-9-17-35-25/h3-18,28H,19-20H2,1-2H3,(H,30,33)/t28-/m1/s1
InChIKeyPZPLCIGHWJIDMT-MUUNZHRXSA-N
XLogP5.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1434311
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 1434299
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210922
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 1434321) is (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1.
What is the InChIKey of (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is PZPLCIGHWJIDMT-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-21-10-6-7-16-26(21)28(29(33)30-20-22-11-4-3-5-12-22)31(23-13-8-14-24(18-23)34-2)27(32)19-25-15-9-17-35-25/h3-18,28H,19-20H2,1-2H3,(H,30,33)/t28-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 484.62 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 1434321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).