N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide

C18H17N3O2S2 — CID 47045898

IUPACN-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)CSc2ncc3ccccn23)ccc1NC(C)=O
InChIInChI=1S/C18H17N3O2S2/c1-12(22)20-15-7-6-13(9-17(15)24-2)16(23)11-25-18-19-10-14-5-3-4-8-21(14)18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyJZOJMMFJSSDXTQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.99
Rot. Bonds6

About N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide

N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide (PubChem CID 47045898) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide
PubChem CID47045898
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)CSc2ncc3ccccn23)ccc1NC(C)=O
InChIInChI=1S/C18H17N3O2S2/c1-12(22)20-15-7-6-13(9-17(15)24-2)16(23)11-25-18-19-10-14-5-3-4-8-21(14)18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyJZOJMMFJSSDXTQ-UHFFFAOYSA-N
XLogP3.99
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methylsulfanyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045881
N-[4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770035
N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
CID 60514090
N-[2-methylsulfanyl-4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 55770220
N-[2-methylsulfanyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045910
N-[4-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770306
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31662305
N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 32508700
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
CID 31662428
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17443156

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide (CID 47045898) is N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide is CSc1cc(C(=O)CSc2ncc3ccccn23)ccc1NC(C)=O.
What is the InChIKey of N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide?
The InChIKey is JZOJMMFJSSDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12(22)20-15-7-6-13(9-17(15)24-2)16(23)11-25-18-19-10-14-5-3-4-8-21(14)18/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide?
N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 47045898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).