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

C29H28N2O3S — CID 3210903

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-9-6-7-13-26(21)31(27(32)19-25-12-8-18-35-25)28(23-10-4-3-5-11-23)29(33)30-20-22-14-16-24(34-2)17-15-22/h3-18,28H,19-20H2,1-2H3,(H,30,33)
InChIKeyZYSFKCATFZAKHY-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.70
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3210903) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3210903
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-9-6-7-13-26(21)31(27(32)19-25-12-8-18-35-25)28(23-10-4-3-5-11-23)29(33)30-20-22-14-16-24(34-2)17-15-22/h3-18,28H,19-20H2,1-2H3,(H,30,33)
InChIKeyZYSFKCATFZAKHY-UHFFFAOYSA-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

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210875
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434321
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 3210926

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (CID 3210903) is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is COc1ccc(CNC(=O)C(c2ccccc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is ZYSFKCATFZAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-21-9-6-7-13-26(21)31(27(32)19-25-12-8-18-35-25)28(23-10-4-3-5-11-23)29(33)30-20-22-14-16-24(34-2)17-15-22/h3-18,28H,19-20H2,1-2H3,(H,30,33).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide 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 N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3210903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).