2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide

C23H18N4O3S — CID 159222092

IUPAC2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide
SMILESCOc1cc(Oc2cccnc2)ccc1NC(=O)CSC1=Nc2cc(C#N)ccc2C1
InChIInChI=1S/C23H18N4O3S/c1-29-21-11-17(30-18-3-2-8-25-13-18)6-7-19(21)26-22(28)14-31-23-10-16-5-4-15(12-24)9-20(16)27-23/h2-9,11,13H,10,14H2,1H3,(H,26,28)
InChIKeyKRUZQNGTNOEXPF-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.71
Rot. Bonds6

About 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide

2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide (PubChem CID 159222092) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide
PubChem CID159222092
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide
SMILESCOc1cc(Oc2cccnc2)ccc1NC(=O)CSC1=Nc2cc(C#N)ccc2C1
InChIInChI=1S/C23H18N4O3S/c1-29-21-11-17(30-18-3-2-8-25-13-18)6-7-19(21)26-22(28)14-31-23-10-16-5-4-15(12-24)9-20(16)27-23/h2-9,11,13H,10,14H2,1H3,(H,26,28)
InChIKeyKRUZQNGTNOEXPF-UHFFFAOYSA-N
XLogP4.71
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2,2-trifluoro-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide
CID 97301950
2-[(3-cyanophenyl)methylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8964683
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
N-(2,4-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3144783
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide (CID 159222092) is 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide is COc1cc(Oc2cccnc2)ccc1NC(=O)CSC1=Nc2cc(C#N)ccc2C1.
What is the InChIKey of 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is KRUZQNGTNOEXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-29-21-11-17(30-18-3-2-8-25-13-18)6-7-19(21)26-22(28)14-31-23-10-16-5-4-15(12-24)9-20(16)27-23/h2-9,11,13H,10,14H2,1H3,(H,26,28).
What are the key properties of 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide?
2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-3H-indol-2-yl)sulfanyl]-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 159222092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).