2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide

C17H16N4O2S — CID 655086

IUPAC2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1
InChIInChI=1S/C17H16N4O2S/c1-10-7-11(2)20-17(13(10)8-18)24-9-15(22)21-14-6-4-3-5-12(14)16(19)23/h3-7H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyIHWGUPNIHHXKQR-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.40
Rot. Bonds5

About 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide

2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide (PubChem CID 655086) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
PubChem CID655086
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1
InChIInChI=1S/C17H16N4O2S/c1-10-7-11(2)20-17(13(10)8-18)24-9-15(22)21-14-6-4-3-5-12(14)16(19)23/h3-7H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyIHWGUPNIHHXKQR-UHFFFAOYSA-N
XLogP2.40
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide (CID 655086) is 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is IHWGUPNIHHXKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-7-11(2)20-17(13(10)8-18)24-9-15(22)21-14-6-4-3-5-12(14)16(19)23/h3-7H,9H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide?
2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 655086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).