N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C18H20N4OS — CID 4527087

IUPACN-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C18H20N4OS/c1-2-3-5-13-7-9-14(10-8-13)20-16(23)12-24-18-21-15-6-4-11-19-17(15)22-18/h4,6-11H,2-3,5,12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyDGRURXFSDDXAJF-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.03
Rot. Bonds7

About N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 4527087) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID4527087
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C18H20N4OS/c1-2-3-5-13-7-9-14(10-8-13)20-16(23)12-24-18-21-15-6-4-11-19-17(15)22-18/h4,6-11H,2-3,5,12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyDGRURXFSDDXAJF-UHFFFAOYSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 4527087) is N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is CCCCc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is DGRURXFSDDXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-3-5-13-7-9-14(10-8-13)20-16(23)12-24-18-21-15-6-4-11-19-17(15)22-18/h4,6-11H,2-3,5,12H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4527087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).