N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide

C18H16N4O2S — CID 17444327

IUPACN-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
SMILESCN(CCC#N)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H16N4O2S/c1-22(10-5-9-19)16(23)12-25-18-13-6-2-3-7-14(13)20-17(21-18)15-8-4-11-24-15/h2-4,6-8,11H,5,10,12H2,1H3
InChIKeySRVIMBIWXMLGDO-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.35
Rot. Bonds6

About N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide

N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide (PubChem CID 17444327) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
PubChem CID17444327
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
SMILESCN(CCC#N)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H16N4O2S/c1-22(10-5-9-19)16(23)12-25-18-13-6-2-3-7-14(13)20-17(21-18)15-8-4-11-24-15/h2-4,6-8,11H,5,10,12H2,1H3
InChIKeySRVIMBIWXMLGDO-UHFFFAOYSA-N
XLogP3.35
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46687618
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
CID 84601919
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methylacetamide
CID 7756834
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
N-(2-cyanoethyl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7501227
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 24585506
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide (CID 17444327) is N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide is CN(CCC#N)C(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
The InChIKey is SRVIMBIWXMLGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-22(10-5-9-19)16(23)12-25-18-13-6-2-3-7-14(13)20-17(21-18)15-8-4-11-24-15/h2-4,6-8,11H,5,10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide?
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide has a molecular weight of 352.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 17444327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).