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

C28H27N3O3S — CID 3210941

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1
InChIInChI=1S/C28H27N3O3S/c1-20-6-3-4-8-25(20)31(26(32)18-24-7-5-17-35-24)27(22-13-15-29-16-14-22)28(33)30-19-21-9-11-23(34-2)12-10-21/h3-17,27H,18-19H2,1-2H3,(H,30,33)
InChIKeyWTRONHFKZWSGDB-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.09
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3210941) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3210941
Molecular FormulaC28H27N3O3S
Molecular Weight485.61 g/mol
Exact Mass485.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1
InChIInChI=1S/C28H27N3O3S/c1-20-6-3-4-8-25(20)31(26(32)18-24-7-5-17-35-24)27(22-13-15-29-16-14-22)28(33)30-19-21-9-11-23(34-2)12-10-21/h3-17,27H,18-19H2,1-2H3,(H,30,33)
InChIKeyWTRONHFKZWSGDB-UHFFFAOYSA-N
XLogP5.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097605
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 1919175
Pyrazine-2-carboxylic acid [benzylcarbamoyl-(4-methoxy-phenyl)-methyl]-thiophen-2-ylmethyl-amide
CID 3188485
N-Cyclohexyl-2-{(3-methoxy-phenyl)-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-pyridin-4-yl-acetamide
CID 3190174
N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-thiophen-2-ylmethyl-amino]-2-(4-methoxy-phenyl)-acetamide
CID 3190738
N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-(3-methoxy-benzyl)-amino]-2-thiophen-2-yl-acetamide
CID 3190924
N-Cyclohexyl-2-[(4-methoxy-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-(1-methyl-1H-pyrrol-2-yl)-acetamide
CID 3191195
N-Cyclopentyl-2-[(2-methoxy-benzyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202578
N-Cyclopentyl-2-[(4-methoxy-benzyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202579

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3210941) is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is COc1ccc(CNC(=O)C(c2ccncc2)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-pyridin-4-ylacetamide?
The InChIKey is WTRONHFKZWSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c1-20-6-3-4-8-25(20)31(26(32)18-24-7-5-17-35-24)27(22-13-15-29-16-14-22)28(33)30-19-21-9-11-23(34-2)12-10-21/h3-17,27H,18-19H2,1-2H3,(H,30,33).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 485.61 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-pyridin-4-ylacetamide is sourced from PubChem (CID 3210941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).