N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide

C18H15F2N3OS — CID 8891275

IUPACN-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
SMILESC=C1c2ccccc2N=C(SCC(=O)Nc2ccc(F)cc2F)N1C
InChIInChI=1S/C18H15F2N3OS/c1-11-13-5-3-4-6-15(13)22-18(23(11)2)25-10-17(24)21-16-8-7-12(19)9-14(16)20/h3-9H,1,10H2,2H3,(H,21,24)
InChIKeyIEQLNPCXVNOQOT-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.24
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide (PubChem CID 8891275) has the molecular formula C18H15F2N3OS and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
PubChem CID8891275
Molecular FormulaC18H15F2N3OS
Molecular Weight359.40 g/mol
Exact Mass359.09
IUPAC NameN-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
SMILESC=C1c2ccccc2N=C(SCC(=O)Nc2ccc(F)cc2F)N1C
InChIInChI=1S/C18H15F2N3OS/c1-11-13-5-3-4-6-15(13)22-18(23(11)2)25-10-17(24)21-16-8-7-12(19)9-14(16)20/h3-9H,1,10H2,2H3,(H,21,24)
InChIKeyIEQLNPCXVNOQOT-UHFFFAOYSA-N
XLogP4.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide (CID 8891275) is N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide is C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(F)cc2F)N1C.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The InChIKey is IEQLNPCXVNOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS/c1-11-13-5-3-4-6-15(13)22-18(23(11)2)25-10-17(24)21-16-8-7-12(19)9-14(16)20/h3-9H,1,10H2,2H3,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide has a molecular weight of 359.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).