2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C20H17N3O2S2 — CID 24585582

IUPAC2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NCc1cccs1
InChIInChI=1S/C20H17N3O2S2/c1-13(19(24)21-12-14-6-5-11-26-14)27-20-15-7-2-3-8-16(15)22-18(23-20)17-9-4-10-25-17/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyOQWMXLPZNHYSBD-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.75
Rot. Bonds6

About 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 24585582) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID24585582
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NCc1cccs1
InChIInChI=1S/C20H17N3O2S2/c1-13(19(24)21-12-14-6-5-11-26-14)27-20-15-7-2-3-8-16(15)22-18(23-20)17-9-4-10-25-17/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyOQWMXLPZNHYSBD-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24585570
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 7606681
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8727252
(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 92503455
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 24585487
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 46357692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 24585582) is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is CC(Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NCc1cccs1.
What is the InChIKey of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OQWMXLPZNHYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13(19(24)21-12-14-6-5-11-26-14)27-20-15-7-2-3-8-16(15)22-18(23-20)17-9-4-10-25-17/h2-11,13H,12H2,1H3,(H,21,24).
What are the key properties of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 24585582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).