N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide

C28H23N3O4S — CID 41004141

IUPACN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H23N3O4S/c1-19-18-21(31-20(2)29-27-11-7-6-10-25(27)28(31)32)12-17-26(19)30-36(33,34)24-15-13-23(14-16-24)35-22-8-4-3-5-9-22/h3-18,30H,1-2H3
InChIKeyPEKGVYPPECJLMW-UHFFFAOYSA-N
MW497.58 g/mol
LogP5.60
Rot. Bonds6

About N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide

N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide (PubChem CID 41004141) has the molecular formula C28H23N3O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
PubChem CID41004141
Molecular FormulaC28H23N3O4S
Molecular Weight497.58 g/mol
Exact Mass497.14
IUPAC NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H23N3O4S/c1-19-18-21(31-20(2)29-27-11-7-6-10-25(27)28(31)32)12-17-26(19)30-36(33,34)24-15-13-23(14-16-24)35-22-8-4-3-5-9-22/h3-18,30H,1-2H3
InChIKeyPEKGVYPPECJLMW-UHFFFAOYSA-N
XLogP5.60
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157
2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803175
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41077348
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
CID 41077373
5-bromo-2-ethoxy-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 43988626
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-nitrobenzenesulfonamide
CID 41077366
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 16803597
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
CID 50834702
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
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 N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide (CID 41004141) is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide is Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
The InChIKey is PEKGVYPPECJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4S/c1-19-18-21(31-20(2)29-27-11-7-6-10-25(27)28(31)32)12-17-26(19)30-36(33,34)24-15-13-23(14-16-24)35-22-8-4-3-5-9-22/h3-18,30H,1-2H3.
What are the key properties of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide?
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide has a molecular weight of 497.58 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 41004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).