N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide

C16H20N2O3S — CID 66714800

IUPACN-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cc(OC(C)C)ccn1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-14-7-8-17-16(10-14)15-6-5-13(9-12(15)3)18-22(4,19)20/h5-11,18H,1-4H3
InChIKeyNGQMMIXAGILLCE-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.22
Rot. Bonds5

About N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide

N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide (PubChem CID 66714800) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide
PubChem CID66714800
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cc(OC(C)C)ccn1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-14-7-8-17-16(10-14)15-6-5-13(9-12(15)3)18-22(4,19)20/h5-11,18H,1-4H3
InChIKeyNGQMMIXAGILLCE-UHFFFAOYSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165
2-(3-methyl-2-propan-2-yloxyphenyl)-4-propan-2-yloxypyridine
CID 158767697
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-4-propan-2-yloxypyridine
CID 158767696
4-propan-2-yloxy-2-thiophen-2-ylpyridine
CID 58755657
N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
CID 87120808
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 166594072
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
1-(4-propan-2-yloxy-2-pyridinyl)cyclopropan-1-amine
CID 84772434
N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide
CID 56653356

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide (CID 66714800) is N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1-c1cc(OC(C)C)ccn1.
What is the InChIKey of N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is NGQMMIXAGILLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)21-14-7-8-17-16(10-14)15-6-5-13(9-12(15)3)18-22(4,19)20/h5-11,18H,1-4H3.
What are the key properties of N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide?
N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 66714800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).