N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide

C19H17F2N3O2S — CID 9110902

IUPACN-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
SMILESC=C1c2ccccc2N=C(SCC(=O)Nc2ccc(OC(F)F)cc2)N1C
InChIInChI=1S/C19H17F2N3O2S/c1-12-15-5-3-4-6-16(15)23-19(24(12)2)27-11-17(25)22-13-7-9-14(10-8-13)26-18(20)21/h3-10,18H,1,11H2,2H3,(H,22,25)
InChIKeyDCPHJLUYKSIJDQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide

N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide (PubChem CID 9110902) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
PubChem CID9110902
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide
SMILESC=C1c2ccccc2N=C(SCC(=O)Nc2ccc(OC(F)F)cc2)N1C
InChIInChI=1S/C19H17F2N3O2S/c1-12-15-5-3-4-6-16(15)23-19(24(12)2)27-11-17(25)22-13-7-9-14(10-8-13)26-18(20)21/h3-10,18H,1,11H2,2H3,(H,22,25)
InChIKeyDCPHJLUYKSIJDQ-UHFFFAOYSA-N
XLogP4.56
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide (CID 9110902) is N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide is C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(OC(F)F)cc2)N1C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
The InChIKey is DCPHJLUYKSIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-12-15-5-3-4-6-16(15)23-19(24(12)2)27-11-17(25)22-13-7-9-14(10-8-13)26-18(20)21/h3-10,18H,1,11H2,2H3,(H,22,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide?
N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide has a molecular weight of 389.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 9110902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).