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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Related Compounds

6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
N-[3-(6-Cyano-9h-Pyrrolo[2,3-B:5,4-C']dipyridin-3-Yl)phenyl]acetamide
CID 68346820
(2S)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454917
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9580009
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea
CID 57391832
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291

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).