N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

C19H20N4O2S — CID 657970

IUPACN-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1
InChIInChI=1S/C19H20N4O2S/c1-11-12(2)17(9-20)19(21-13(11)3)26-10-18(25)23-16-7-5-6-15(8-16)22-14(4)24/h5-8H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHSQBQRHHPNPUDH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.57
Rot. Bonds5

About N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide

N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 657970) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID657970
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1
InChIInChI=1S/C19H20N4O2S/c1-11-12(2)17(9-20)19(21-13(11)3)26-10-18(25)23-16-7-5-6-15(8-16)22-14(4)24/h5-8H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHSQBQRHHPNPUDH-UHFFFAOYSA-N
XLogP3.57
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide (CID 657970) is N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HSQBQRHHPNPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-12(2)17(9-20)19(21-13(11)3)26-10-18(25)23-16-7-5-6-15(8-16)22-14(4)24/h5-8H,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 657970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).