N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide

C22H21N3O2S — CID 2801354

IUPACN-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(Oc2ncccc2NC(=O)CSc2ccccn2)c2c1CCC2
InChIInChI=1S/C22H21N3O2S/c1-15-10-11-19(17-7-4-6-16(15)17)27-22-18(8-5-13-24-22)25-20(26)14-28-21-9-2-3-12-23-21/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,25,26)
InChIKeyVVXRSTDMYNXZAQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.80
Rot. Bonds6

About N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide

N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2801354) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2801354
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(Oc2ncccc2NC(=O)CSc2ccccn2)c2c1CCC2
InChIInChI=1S/C22H21N3O2S/c1-15-10-11-19(17-7-4-6-16(15)17)27-22-18(8-5-13-24-22)25-20(26)14-28-21-9-2-3-12-23-21/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,25,26)
InChIKeyVVXRSTDMYNXZAQ-UHFFFAOYSA-N
XLogP4.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide with MolForge

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Related Compounds

N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 8813197
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 684871
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
2-(2-chlorophenyl)sulfanyl-N-(2-phenoxy-3-pyridinyl)acetamide
CID 43072075
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530317
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide (CID 2801354) is N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide is Cc1ccc(Oc2ncccc2NC(=O)CSc2ccccn2)c2c1CCC2.
What is the InChIKey of N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VVXRSTDMYNXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-10-11-19(17-7-4-6-16(15)17)27-22-18(8-5-13-24-22)25-20(26)14-28-21-9-2-3-12-23-21/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,25,26).
What are the key properties of N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 391.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).