2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide

C20H17F2N3OS — CID 24579343

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3OS/c1-11(19(26)24-17-9-8-13(21)10-15(17)22)27-20-14-4-2-3-5-16(14)23-18(25-20)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,24,26)
InChIKeyFVVUGSLTYSRRAA-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.90
Rot. Bonds5

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide (PubChem CID 24579343) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
PubChem CID24579343
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3OS/c1-11(19(26)24-17-9-8-13(21)10-15(17)22)27-20-14-4-2-3-5-16(14)23-18(25-20)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,24,26)
InChIKeyFVVUGSLTYSRRAA-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 24579334
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41103853
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
N-(4-bromo-2-fluorophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24500335
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 9385088
N-(2,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 43014223
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide (CID 24579343) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide is CC(Sc1nc(C2CC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The InChIKey is FVVUGSLTYSRRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c1-11(19(26)24-17-9-8-13(21)10-15(17)22)27-20-14-4-2-3-5-16(14)23-18(25-20)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,24,26).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide has a molecular weight of 385.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 24579343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).