2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

C24H23N3O3S — CID 16803176

IUPAC2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C
InChIInChI=1S/C24H23N3O3S/c1-15-12-17(3)23(13-16(15)2)31(29,30)26-19-8-7-9-20(14-19)27-18(4)25-22-11-6-5-10-21(22)24(27)28/h5-14,26H,1-4H3
InChIKeyZTVYTOUKABKQHK-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.42
Rot. Bonds4

About 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 16803176) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID16803176
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C
InChIInChI=1S/C24H23N3O3S/c1-15-12-17(3)23(13-16(15)2)31(29,30)26-19-8-7-9-20(14-19)27-18(4)25-22-11-6-5-10-21(22)24(27)28/h5-14,26H,1-4H3
InChIKeyZTVYTOUKABKQHK-UHFFFAOYSA-N
XLogP4.42
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822877
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16803208
2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
2-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41004183
2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803175
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 16803176) is 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is ZTVYTOUKABKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-12-17(3)23(13-16(15)2)31(29,30)26-19-8-7-9-20(14-19)27-18(4)25-22-11-6-5-10-21(22)24(27)28/h5-14,26H,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16803176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).