(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide

C29H28N2O2S — CID 1434299

IUPAC(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C29H28N2O2S/c1-22-11-8-9-17-26(22)28(29(33)30-20-23-12-4-2-5-13-23)31(21-24-14-6-3-7-15-24)27(32)19-25-16-10-18-34-25/h2-18,28H,19-21H2,1H3,(H,30,33)/t28-/m0/s1
InChIKeyHZIARBOQRGRHKO-NDEPHWFRSA-N
MW468.62 g/mol
LogP5.69
Rot. Bonds9

About (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide

(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide (PubChem CID 1434299) has the molecular formula C29H28N2O2S and a molecular weight of 468.62 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
PubChem CID1434299
Molecular FormulaC29H28N2O2S
Molecular Weight468.62 g/mol
Exact Mass468.19
IUPAC Name(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C29H28N2O2S/c1-22-11-8-9-17-26(22)28(29(33)30-20-23-12-4-2-5-13-23)31(21-24-14-6-3-7-15-24)27(32)19-25-16-10-18-34-25/h2-18,28H,19-21H2,1H3,(H,30,33)/t28-/m0/s1
InChIKeyHZIARBOQRGRHKO-NDEPHWFRSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
(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
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The IUPAC name of (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide (CID 1434299) is (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide is Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The InChIKey is HZIARBOQRGRHKO-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H28N2O2S/c1-22-11-8-9-17-26(22)28(29(33)30-20-23-12-4-2-5-13-23)31(21-24-14-6-3-7-15-24)27(32)19-25-16-10-18-34-25/h2-18,28H,19-21H2,1H3,(H,30,33)/t28-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide has a molecular weight of 468.62 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 1434299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).