N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C20H17N3O2S2 — CID 41099497

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccco1
InChIInChI=1S/C20H17N3O2S2/c1-13(16-8-4-10-25-16)21-18(24)12-27-20-14-6-2-3-7-15(14)22-19(23-20)17-9-5-11-26-17/h2-11,13H,12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyUHUKMCYHQLNFOC-CYBMUJFWSA-N
MW395.51 g/mol
LogP4.92
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 41099497) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID41099497
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccco1
InChIInChI=1S/C20H17N3O2S2/c1-13(16-8-4-10-25-16)21-18(24)12-27-20-14-6-2-3-7-15(14)22-19(23-20)17-9-5-11-26-17/h2-11,13H,12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyUHUKMCYHQLNFOC-CYBMUJFWSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640132
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 41099497) is N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is C[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is UHUKMCYHQLNFOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13(16-8-4-10-25-16)21-18(24)12-27-20-14-6-2-3-7-15(14)22-19(23-20)17-9-5-11-26-17/h2-11,13H,12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 395.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 41099497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).