N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C20H19F2N3O2S — CID 981624

IUPACN-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O
InChIInChI=1S/C20H19F2N3O2S/c1-12(2)10-25-19(27)14-5-3-4-6-16(14)24-20(25)28-11-18(26)23-17-8-7-13(21)9-15(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyZULLDQLIZVTLAU-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.06
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 981624) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID981624
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O
InChIInChI=1S/C20H19F2N3O2S/c1-12(2)10-25-19(27)14-5-3-4-6-16(14)24-20(25)28-11-18(26)23-17-8-7-13(21)9-15(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyZULLDQLIZVTLAU-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 981624) is N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZULLDQLIZVTLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-12(2)10-25-19(27)14-5-3-4-6-16(14)24-20(25)28-11-18(26)23-17-8-7-13(21)9-15(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 403.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 981624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).