2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide

C23H18N4O2S — CID 19058700

IUPAC2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide
SMILESCOc1ccccc1-c1ccc(C#N)c(SCC(=O)Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H18N4O2S/c1-29-21-5-3-2-4-18(21)19-9-7-16(13-24)23(27-19)30-14-22(28)26-17-8-6-15-10-11-25-20(15)12-17/h2-12,25H,14H2,1H3,(H,26,28)
InChIKeyHKSFLQMAKBVAES-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.84
Rot. Bonds6

About 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide

2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide (PubChem CID 19058700) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide
PubChem CID19058700
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide
SMILESCOc1ccccc1-c1ccc(C#N)c(SCC(=O)Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H18N4O2S/c1-29-21-5-3-2-4-18(21)19-9-7-16(13-24)23(27-19)30-14-22(28)26-17-8-6-15-10-11-25-20(15)12-17/h2-12,25H,14H2,1H3,(H,26,28)
InChIKeyHKSFLQMAKBVAES-UHFFFAOYSA-N
XLogP4.84
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4013372
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058761
2-[[3-cyano-6-(2-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 56689437
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 45032041
methyl 4-(1H-indol-6-ylamino)-4-oxobutanoate
CID 110730795
N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 52905291
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812559
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 43811402
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1086238

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide (CID 19058700) is 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide is COc1ccccc1-c1ccc(C#N)c(SCC(=O)Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is HKSFLQMAKBVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-29-21-5-3-2-4-18(21)19-9-7-16(13-24)23(27-19)30-14-22(28)26-17-8-6-15-10-11-25-20(15)12-17/h2-12,25H,14H2,1H3,(H,26,28).
What are the key properties of 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide?
2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).