2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide

C19H19N3O2S — CID 86970630

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1oc2ncnc(NC(=O)CSc3ccc4c(c3)CCC4)c2c1C
InChIInChI=1S/C19H19N3O2S/c1-11-12(2)24-19-17(11)18(20-10-21-19)22-16(23)9-25-15-7-6-13-4-3-5-14(13)8-15/h6-8,10H,3-5,9H2,1-2H3,(H,20,21,22,23)
InChIKeyYFTIRAZHSYTXOB-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.06
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 86970630) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
PubChem CID86970630
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1oc2ncnc(NC(=O)CSc3ccc4c(c3)CCC4)c2c1C
InChIInChI=1S/C19H19N3O2S/c1-11-12(2)24-19-17(11)18(20-10-21-19)22-16(23)9-25-15-7-6-13-4-3-5-14(13)8-15/h6-8,10H,3-5,9H2,1-2H3,(H,20,21,22,23)
InChIKeyYFTIRAZHSYTXOB-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide with MolForge

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Related Compounds

N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 86970638
N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800613
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 51121209
ethyl 4-acetyl-2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 8800536
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoate
CID 35250339
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide (CID 86970630) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide is Cc1oc2ncnc(NC(=O)CSc3ccc4c(c3)CCC4)c2c1C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is YFTIRAZHSYTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-11-12(2)24-19-17(11)18(20-10-21-19)22-16(23)9-25-15-7-6-13-4-3-5-14(13)8-15/h6-8,10H,3-5,9H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 86970630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).