N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide

C24H20FN3O4S2 — CID 24558782

IUPACN-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide
SMILESCc1ccc(-n2c(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)nc3ccccc3c2=O)cc1F
InChIInChI=1S/C24H20FN3O4S2/c1-15-7-12-18(13-20(15)25)28-23(30)19-5-3-4-6-21(19)26-24(28)33-14-22(29)16-8-10-17(11-9-16)27-34(2,31)32/h3-13,27H,14H2,1-2H3
InChIKeySVWZOPIKWANNRL-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.18
Rot. Bonds7

About N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide

N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide (PubChem CID 24558782) has the molecular formula C24H20FN3O4S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide
PubChem CID24558782
Molecular FormulaC24H20FN3O4S2
Molecular Weight497.57 g/mol
Exact Mass497.09
IUPAC NameN-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide
SMILESCc1ccc(-n2c(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)nc3ccccc3c2=O)cc1F
InChIInChI=1S/C24H20FN3O4S2/c1-15-7-12-18(13-20(15)25)28-23(30)19-5-3-4-6-21(19)26-24(28)33-14-22(29)16-8-10-17(11-9-16)27-34(2,31)32/h3-13,27H,14H2,1-2H3
InChIKeySVWZOPIKWANNRL-UHFFFAOYSA-N
XLogP4.18
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 17463835
3-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589752
N-butyl-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 33112396
3-(3,4-dichlorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2809763
3-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylsulfanyl)quinazolin-4-one
CID 27927500
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-iodophenyl)acetamide
CID 16532001
N-(2-cyanoethyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 33112385
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 32698535
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 33111857
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 37283897

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide (CID 24558782) is N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide is Cc1ccc(-n2c(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)nc3ccccc3c2=O)cc1F.
What is the InChIKey of N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide?
The InChIKey is SVWZOPIKWANNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S2/c1-15-7-12-18(13-20(15)25)28-23(30)19-5-3-4-6-21(19)26-24(28)33-14-22(29)16-8-10-17(11-9-16)27-34(2,31)32/h3-13,27H,14H2,1-2H3.
What are the key properties of N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide?
N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide has a molecular weight of 497.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 24558782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).