N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide

C23H29N3O3S — CID 42712027

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O3S/c1-5-21(22-24-20-15-11-10-14-19(20)23(27)25(22)6-2)26(16-17(3)4)30(28,29)18-12-8-7-9-13-18/h7-15,17,21H,5-6,16H2,1-4H3
InChIKeyOJBQIAOABZCSPI-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.21
Rot. Bonds8

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 42712027) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID42712027
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O3S/c1-5-21(22-24-20-15-11-10-14-19(20)23(27)25(22)6-2)26(16-17(3)4)30(28,29)18-12-8-7-9-13-18/h7-15,17,21H,5-6,16H2,1-4H3
InChIKeyOJBQIAOABZCSPI-UHFFFAOYSA-N
XLogP4.21
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42713471
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-fluoro-N-pentylbenzenesulfonamide
CID 42716803
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
CID 42717035
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
4-methoxy-N-(2-methylpropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 42715475
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzenesulfonamide
CID 3392926
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzenesulfonamide
CID 42722554
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide (CID 42712027) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide is CCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OJBQIAOABZCSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-5-21(22-24-20-15-11-10-14-19(20)23(27)25(22)6-2)26(16-17(3)4)30(28,29)18-12-8-7-9-13-18/h7-15,17,21H,5-6,16H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 42712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).