4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide

C24H23N3O4S — CID 66689067

IUPAC4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-17(26(2)32(29,30)20-15-13-19(31-3)14-16-20)23-25-22-12-8-7-11-21(22)24(28)27(23)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKeyTULUBRRKFBLIHS-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.78
Rot. Bonds6

About 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide

4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide (PubChem CID 66689067) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
PubChem CID66689067
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-17(26(2)32(29,30)20-15-13-19(31-3)14-16-20)23-25-22-12-8-7-11-21(22)24(28)27(23)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKeyTULUBRRKFBLIHS-UHFFFAOYSA-N
XLogP3.78
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 66689029
N-[1-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 10289039
4-methoxy-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720890
4-methoxy-N-(2-methylpropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 42715475
N-[1-[8-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-phenylbenzenesulfonamide
CID 10128921
4-tert-butyl-N-[1-[3-[4-(2-methoxyphenyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66690041
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxy-N-methylbenzenesulfonamide
CID 42719807
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
CID 42720888
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
4-tert-butyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66689326
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42715735
4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide
CID 42720812

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide (CID 66689067) is 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is TULUBRRKFBLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-17(26(2)32(29,30)20-15-13-19(31-3)14-16-20)23-25-22-12-8-7-11-21(22)24(28)27(23)18-9-5-4-6-10-18/h4-17H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 66689067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).