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

C23H21N3O4S — CID 16822871

IUPAC2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H21N3O4S/c1-15-11-12-21(30-3)22(13-15)31(28,29)25-17-7-6-8-18(14-17)26-16(2)24-20-10-5-4-9-19(20)23(26)27/h4-14,25H,1-3H3
InChIKeyYPDYDNXKRKOLFC-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.81
Rot. Bonds5

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

2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 16822871) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID16822871
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H21N3O4S/c1-15-11-12-21(30-3)22(13-15)31(28,29)25-17-7-6-8-18(14-17)26-16(2)24-20-10-5-4-9-19(20)23(26)27/h4-14,25H,1-3H3
InChIKeyYPDYDNXKRKOLFC-UHFFFAOYSA-N
XLogP3.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822877
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
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-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41004183
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803175
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
CID 30600704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 16822871) is 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is YPDYDNXKRKOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-11-12-21(30-3)22(13-15)31(28,29)25-17-7-6-8-18(14-17)26-16(2)24-20-10-5-4-9-19(20)23(26)27/h4-14,25H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16822871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).