N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C22H24N6OS — CID 71852220

IUPACN-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H24N6OS/c1-4-24-19-10-5-16(12-23)11-20(19)26-21(29)13-30-22-27-25-14-28(22)18-8-6-17(7-9-18)15(2)3/h5-11,14-15,24H,4,13H2,1-3H3,(H,26,29)
InChIKeyOAFVVSHJBDXVAO-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.42
Rot. Bonds8

About N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 71852220) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID71852220
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC NameN-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C22H24N6OS/c1-4-24-19-10-5-16(12-23)11-20(19)26-21(29)13-30-22-27-25-14-28(22)18-8-6-17(7-9-18)15(2)3/h5-11,14-15,24H,4,13H2,1-3H3,(H,26,29)
InChIKeyOAFVVSHJBDXVAO-UHFFFAOYSA-N
XLogP4.42
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32689488
N-(3-chloro-2-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31784692
N-(3-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31775569
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46643291
N-[4-(hydroxymethyl)-3-pyridinyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167845796
N-(4-cyanophenyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40631173
N-(2-hydroxyethyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78845436
N-(5-fluoro-2-pyridinyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 52871197
2-methyl-4-[[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 56527774
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 40583352
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 155946256
N-cycloheptyl-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31942331

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 71852220) is N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is OAFVVSHJBDXVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-4-24-19-10-5-16(12-23)11-20(19)26-21(29)13-30-22-27-25-14-28(22)18-8-6-17(7-9-18)15(2)3/h5-11,14-15,24H,4,13H2,1-3H3,(H,26,29).
What are the key properties of N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(ethylamino)phenyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 71852220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).