N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

C29H28N2O3S — CID 3201947

IUPACN-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-34-25-16-14-23(15-17-25)21-31(27(32)19-26-13-8-18-35-26)28(24-11-6-3-7-12-24)29(33)30-20-22-9-4-2-5-10-22/h2-18,28H,19-21H2,1H3,(H,30,33)
InChIKeyYRODCTMDKPHKCJ-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.39
Rot. Bonds10

About N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (PubChem CID 3201947) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
PubChem CID3201947
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC NameN-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-34-25-16-14-23(15-17-25)21-31(27(32)19-26-13-8-18-35-26)28(24-11-6-3-7-12-24)29(33)30-20-22-9-4-2-5-10-22/h2-18,28H,19-21H2,1H3,(H,30,33)
InChIKeyYRODCTMDKPHKCJ-UHFFFAOYSA-N
XLogP5.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
(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-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 3210926
(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1449980
(2S)-N-benzyl-2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 1434299
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
(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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (CID 3201947) is N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is COc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The InChIKey is YRODCTMDKPHKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-34-25-16-14-23(15-17-25)21-31(27(32)19-26-13-8-18-35-26)28(24-11-6-3-7-12-24)29(33)30-20-22-9-4-2-5-10-22/h2-18,28H,19-21H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide has a molecular weight of 484.62 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 3201947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).