2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide

C21H23N3O2S — CID 55490706

IUPAC2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O2S/c1-14-7-2-4-9-16(14)22-19(25)13-27-21-15-8-3-5-10-17(15)23-20(24-21)18-11-6-12-26-18/h3,5-6,8,10-12,14,16H,2,4,7,9,13H2,1H3,(H,22,25)
InChIKeyNVOKBXYGJFYOMO-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.68
Rot. Bonds5

About 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 55490706) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID55490706
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O2S/c1-14-7-2-4-9-16(14)22-19(25)13-27-21-15-8-3-5-10-17(15)23-20(24-21)18-11-6-12-26-18/h3,5-6,8,10-12,14,16H,2,4,7,9,13H2,1H3,(H,22,25)
InChIKeyNVOKBXYGJFYOMO-UHFFFAOYSA-N
XLogP4.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145941
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2659252
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 2586119
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395376
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7951792
2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7465789
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 55490706) is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is NVOKBXYGJFYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-7-2-4-9-16(14)22-19(25)13-27-21-15-8-3-5-10-17(15)23-20(24-21)18-11-6-12-26-18/h3,5-6,8,10-12,14,16H,2,4,7,9,13H2,1H3,(H,22,25).
What are the key properties of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 55490706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).