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

C28H26N2O2S — CID 1434323

IUPAC(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C28H26N2O2S/c1-21-11-8-9-17-25(21)27(28(32)29-20-22-12-4-2-5-13-22)30(23-14-6-3-7-15-23)26(31)19-24-16-10-18-33-24/h2-18,27H,19-20H2,1H3,(H,29,32)/t27-/m1/s1
InChIKeyPYPINNCTXXDRBB-HHHXNRCGSA-N
MW454.60 g/mol
LogP5.69
Rot. Bonds8

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

(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 1434323) has the molecular formula C28H26N2O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID1434323
Molecular FormulaC28H26N2O2S
Molecular Weight454.60 g/mol
Exact Mass454.17
IUPAC Name(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C28H26N2O2S/c1-21-11-8-9-17-25(21)27(28(32)29-20-22-12-4-2-5-13-22)30(23-14-6-3-7-15-23)26(31)19-24-16-10-18-33-24/h2-18,27H,19-20H2,1H3,(H,29,32)/t27-/m1/s1
InChIKeyPYPINNCTXXDRBB-HHHXNRCGSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1434311
(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-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 1434299
(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
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
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
CID 1434542
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 1434323) is (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is PYPINNCTXXDRBB-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H26N2O2S/c1-21-11-8-9-17-25(21)27(28(32)29-20-22-12-4-2-5-13-22)30(23-14-6-3-7-15-23)26(31)19-24-16-10-18-33-24/h2-18,27H,19-20H2,1H3,(H,29,32)/t27-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 454.60 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 1434323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).