N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide

C12H11N5O2S — CID 3701880

IUPACN-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)NCc1ccco1
InChIInChI=1S/C12H11N5O2S/c18-9(13-4-8-2-1-3-19-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-3,6-7H,4-5H2,(H,13,18)(H,14,15,16,17)
InChIKeyNIDJWAOBHTUPNU-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.35
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide

N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide (PubChem CID 3701880) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
PubChem CID3701880
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)NCc1ccco1
InChIInChI=1S/C12H11N5O2S/c18-9(13-4-8-2-1-3-19-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-3,6-7H,4-5H2,(H,13,18)(H,14,15,16,17)
InChIKeyNIDJWAOBHTUPNU-UHFFFAOYSA-N
XLogP1.35
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
CID 4963019
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-(furan-2-ylmethyl)-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955111
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
CID 21371017
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 53073729
N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 19059102
(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 99636793
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
1-(4-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 680874

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide (CID 3701880) is N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide is O=C(CSc1ncnc2nc[nH]c12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
The InChIKey is NIDJWAOBHTUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-9(13-4-8-2-1-3-19-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-3,6-7H,4-5H2,(H,13,18)(H,14,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide?
N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 3701880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).