N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide

C18H25N3O3S — CID 1203831

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3O3S/c1-13(2)10-11-21(18-19-15(4)12-17(20-18)24-5)25(22,23)16-8-6-14(3)7-9-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeyIQLWYIJBUOUAJJ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.34
Rot. Bonds7

About N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 1203831) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID1203831
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3O3S/c1-13(2)10-11-21(18-19-15(4)12-17(20-18)24-5)25(22,23)16-8-6-14(3)7-9-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeyIQLWYIJBUOUAJJ-UHFFFAOYSA-N
XLogP3.34
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 1203831) is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide is COc1cc(C)nc(N(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is IQLWYIJBUOUAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13(2)10-11-21(18-19-15(4)12-17(20-18)24-5)25(22,23)16-8-6-14(3)7-9-16/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 1203831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).