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

C18H17N3O4S — CID 7628344

IUPACN-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-20(26(2,24)25)14-9-7-13(8-10-14)17(22)11-21-12-19-16-6-4-3-5-15(16)18(21)23/h3-10,12H,11H2,1-2H3
InChIKeyKUNHQZKUVDGAHF-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.68
Rot. Bonds5

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

N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide (PubChem CID 7628344) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide
PubChem CID7628344
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-20(26(2,24)25)14-9-7-13(8-10-14)17(22)11-21-12-19-16-6-4-3-5-15(16)18(21)23/h3-10,12H,11H2,1-2H3
InChIKeyKUNHQZKUVDGAHF-UHFFFAOYSA-N
XLogP1.68
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
CID 32762513
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide (CID 7628344) is N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide is CN(c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide?
The InChIKey is KUNHQZKUVDGAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-20(26(2,24)25)14-9-7-13(8-10-14)17(22)11-21-12-19-16-6-4-3-5-15(16)18(21)23/h3-10,12H,11H2,1-2H3.
What are the key properties of N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide?
N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 7628344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).