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

C27H25N3O3S — CID 3210940

IUPACN-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O3S/c1-33-23-11-9-20(10-12-23)19-29-27(32)26(21-13-15-28-16-14-21)30(22-6-3-2-4-7-22)25(31)18-24-8-5-17-34-24/h2-17,26H,18-19H2,1H3,(H,29,32)
InChIKeyKPZUZFLGGZVRKM-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.79
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3210940) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3210940
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O3S/c1-33-23-11-9-20(10-12-23)19-29-27(32)26(21-13-15-28-16-14-21)30(22-6-3-2-4-7-22)25(31)18-24-8-5-17-34-24/h2-17,26H,18-19H2,1H3,(H,29,32)
InChIKeyKPZUZFLGGZVRKM-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3210940) is N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is COc1ccc(CNC(=O)C(c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is KPZUZFLGGZVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-33-23-11-9-20(10-12-23)19-29-27(32)26(21-13-15-28-16-14-21)30(22-6-3-2-4-7-22)25(31)18-24-8-5-17-34-24/h2-17,26H,18-19H2,1H3,(H,29,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 471.58 g/mol, XLogP of 4.79, 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-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3210940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).