N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

C26H22N4O3S — CID 121272508

IUPACN-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESCS(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4ccccc43)nc2)cc1
InChIInChI=1S/C26H22N4O3S/c1-34(32)22-10-7-18(8-11-22)20-6-9-21(28-15-20)16-29-25(31)17-30-23-5-3-2-4-19(23)14-24(30)26-27-12-13-33-26/h2-15H,16-17H2,1H3,(H,29,31)
InChIKeyLVBVWAJHKPAYBR-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.41
Rot. Bonds7

About N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (PubChem CID 121272508) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
PubChem CID121272508
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESCS(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4ccccc43)nc2)cc1
InChIInChI=1S/C26H22N4O3S/c1-34(32)22-10-7-18(8-11-22)20-6-9-21(28-15-20)16-29-25(31)17-30-23-5-3-2-4-19(23)14-24(30)26-27-12-13-33-26/h2-15H,16-17H2,1H3,(H,29,31)
InChIKeyLVBVWAJHKPAYBR-UHFFFAOYSA-N
XLogP4.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (CID 121272508) is N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is CS(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4ccccc43)nc2)cc1.
What is the InChIKey of N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The InChIKey is LVBVWAJHKPAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-34(32)22-10-7-18(8-11-22)20-6-9-21(28-15-20)16-29-25(31)17-30-23-5-3-2-4-19(23)14-24(30)26-27-12-13-33-26/h2-15H,16-17H2,1H3,(H,29,31).
What are the key properties of N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylsulfinylphenyl)-2-pyridinyl]methyl]-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 121272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).