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

C24H23N3O3S — CID 16803175

IUPAC2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c(C)c1
InChIInChI=1S/C24H23N3O3S/c1-15-9-12-23(17(3)13-15)31(29,30)26-21-11-10-19(14-16(21)2)27-18(4)25-22-8-6-5-7-20(22)24(27)28/h5-14,26H,1-4H3
InChIKeyNWPRUBATMBKBCC-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.42
Rot. Bonds4

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

2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 16803175) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID16803175
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c(C)c1
InChIInChI=1S/C24H23N3O3S/c1-15-9-12-23(17(3)13-15)31(29,30)26-21-11-10-19(14-16(21)2)27-18(4)25-22-8-6-5-7-20(22)24(27)28/h5-14,26H,1-4H3
InChIKeyNWPRUBATMBKBCC-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

5-bromo-2-ethoxy-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 43988626
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41004141
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
2-chloro-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-nitrobenzenesulfonamide
CID 30600640
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
CID 30600704
4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822877

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 16803175) is 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is NWPRUBATMBKBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-9-12-23(17(3)13-15)31(29,30)26-21-11-10-19(14-16(21)2)27-18(4)25-22-8-6-5-7-20(22)24(27)28/h5-14,26H,1-4H3.
What are the key properties of 2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
2,4-dimethyl-N-[2-methyl-4-(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-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16803175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).