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

C29H25N3O3S — CID 66689029

IUPACN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3S/c1-21(31(2)36(34,35)25-19-17-23(18-20-25)22-11-5-3-6-12-22)28-30-27-16-10-9-15-26(27)29(33)32(28)24-13-7-4-8-14-24/h3-21H,1-2H3
InChIKeyLJYOVQFDNKGBDH-UHFFFAOYSA-N
MW495.60 g/mol
LogP5.43
Rot. Bonds6

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

N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 66689029) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
PubChem CID66689029
Molecular FormulaC29H25N3O3S
Molecular Weight495.60 g/mol
Exact Mass495.16
IUPAC NameN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3S/c1-21(31(2)36(34,35)25-19-17-23(18-20-25)22-11-5-3-6-12-22)28-30-27-16-10-9-15-26(27)29(33)32(28)24-13-7-4-8-14-24/h3-21H,1-2H3
InChIKeyLJYOVQFDNKGBDH-UHFFFAOYSA-N
XLogP5.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
4-tert-butyl-N-[1-[3-[4-(2-methoxyphenyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66690041
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42715735
N-[1-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 10289039
N-[1-[8-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-phenylbenzenesulfonamide
CID 10128921
2-tert-butyl-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 67073461
N-ethyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 42718013
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
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
4-chloro-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720229
4-tert-butyl-N-methyl-N-[1-[4-oxo-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinazolin-2-yl]ethyl]benzenesulfonamide
CID 66689264

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide (CID 66689029) is N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide is CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is LJYOVQFDNKGBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3S/c1-21(31(2)36(34,35)25-19-17-23(18-20-25)22-11-5-3-6-12-22)28-30-27-16-10-9-15-26(27)29(33)32(28)24-13-7-4-8-14-24/h3-21H,1-2H3.
What are the key properties of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 66689029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).