N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C17H20N4OS — CID 5301896

IUPACN-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1CC(C)C
InChIInChI=1S/C17H20N4OS/c1-11(2)8-15-12(3)19-17(21-15)23-10-16(22)20-14-7-5-4-6-13(14)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPWCBAUHRCSHYGX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.52
Rot. Bonds6

About N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide

N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 5301896) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID5301896
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1CC(C)C
InChIInChI=1S/C17H20N4OS/c1-11(2)8-15-12(3)19-17(21-15)23-10-16(22)20-14-7-5-4-6-13(14)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPWCBAUHRCSHYGX-UHFFFAOYSA-N
XLogP3.52
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 5301896) is N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide is Cc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1CC(C)C.
What is the InChIKey of N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is PWCBAUHRCSHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)8-15-12(3)19-17(21-15)23-10-16(22)20-14-7-5-4-6-13(14)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 5301896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).