N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

C24H23N3O4S — CID 135429160

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23N3O4S/c1-17-11-13-19(14-12-17)32(29,30)27(15-18-7-3-6-10-22(18)31-2)16-23-25-21-9-5-4-8-20(21)24(28)26-23/h3-14H,15-16H2,1-2H3,(H,25,26,28)
InChIKeyPFMRMIMERZWHRM-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.63
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (PubChem CID 135429160) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
PubChem CID135429160
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23N3O4S/c1-17-11-13-19(14-12-17)32(29,30)27(15-18-7-3-6-10-22(18)31-2)16-23-25-21-9-5-4-8-20(21)24(28)26-23/h3-14H,15-16H2,1-2H3,(H,25,26,28)
InChIKeyPFMRMIMERZWHRM-UHFFFAOYSA-N
XLogP3.63
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (CID 135429160) is N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PFMRMIMERZWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-17-11-13-19(14-12-17)32(29,30)27(15-18-7-3-6-10-22(18)31-2)16-23-25-21-9-5-4-8-20(21)24(28)26-23/h3-14H,15-16H2,1-2H3,(H,25,26,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 135429160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).