N-(4-propoxyquinazolin-2-yl)methanesulfonamide

C12H15N3O3S — CID 69085012

IUPACN-(4-propoxyquinazolin-2-yl)methanesulfonamide
SMILESCCCOc1nc(NS(C)(=O)=O)nc2ccccc12
InChIInChI=1S/C12H15N3O3S/c1-3-8-18-11-9-6-4-5-7-10(9)13-12(14-11)15-19(2,16)17/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyMFDKEZDKHNOFFS-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.79
Rot. Bonds5

About N-(4-propoxyquinazolin-2-yl)methanesulfonamide

N-(4-propoxyquinazolin-2-yl)methanesulfonamide (PubChem CID 69085012) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(4-propoxyquinazolin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-propoxyquinazolin-2-yl)methanesulfonamide
PubChem CID69085012
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(4-propoxyquinazolin-2-yl)methanesulfonamide
SMILESCCCOc1nc(NS(C)(=O)=O)nc2ccccc12
InChIInChI=1S/C12H15N3O3S/c1-3-8-18-11-9-6-4-5-7-10(9)13-12(14-11)15-19(2,16)17/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyMFDKEZDKHNOFFS-UHFFFAOYSA-N
XLogP1.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
2-chloro-4-propoxyquinazoline
CID 62477512
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
CID 115943140
4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
CID 80870725
[4-[2-(2-methylpropoxy)ethoxy]quinazolin-2-yl]hydrazine
CID 106451624
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
N-(5-propoxypyrimidin-2-yl)benzenesulfonamide
CID 23275504
4-(2-methylpentoxy)-N-propylquinazolin-2-amine
CID 103286409

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyquinazolin-2-yl)methanesulfonamide?
The IUPAC name of N-(4-propoxyquinazolin-2-yl)methanesulfonamide (CID 69085012) is N-(4-propoxyquinazolin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-propoxyquinazolin-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-propoxyquinazolin-2-yl)methanesulfonamide is CCCOc1nc(NS(C)(=O)=O)nc2ccccc12.
What is the InChIKey of N-(4-propoxyquinazolin-2-yl)methanesulfonamide?
The InChIKey is MFDKEZDKHNOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-8-18-11-9-6-4-5-7-10(9)13-12(14-11)15-19(2,16)17/h4-7H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4-propoxyquinazolin-2-yl)methanesulfonamide?
N-(4-propoxyquinazolin-2-yl)methanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyquinazolin-2-yl)methanesulfonamide is sourced from PubChem (CID 69085012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).