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

C24H23N3O4S — CID 135509255

IUPAC4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H23N3O4S/c1-31-19-11-13-20(14-12-19)32(29,30)27(16-15-18-7-3-2-4-8-18)17-23-25-22-10-6-5-9-21(22)24(28)26-23/h2-14H,15-17H2,1H3,(H,25,26,28)
InChIKeyHGGDOUZKUZQMKF-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.37
Rot. Bonds8

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

4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 135509255) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID135509255
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H23N3O4S/c1-31-19-11-13-20(14-12-19)32(29,30)27(16-15-18-7-3-2-4-8-18)17-23-25-22-10-6-5-9-21(22)24(28)26-23/h2-14H,15-17H2,1H3,(H,25,26,28)
InChIKeyHGGDOUZKUZQMKF-UHFFFAOYSA-N
XLogP3.37
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735216
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 135417617
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1165503
2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135429083
3-acetyl-N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735235
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 135877077

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide (CID 135509255) is 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is HGGDOUZKUZQMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-31-19-11-13-20(14-12-19)32(29,30)27(16-15-18-7-3-2-4-8-18)17-23-25-22-10-6-5-9-21(22)24(28)26-23/h2-14H,15-17H2,1H3,(H,25,26,28).
What are the key properties of 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide?
4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 135509255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).