N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

C19H23FN2O3S — CID 159206718

IUPACN-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCCn1c(Cc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)cc(C)c1=O
InChIInChI=1S/C19H23FN2O3S/c1-4-22-18(11-14-6-5-12(2)9-16(14)20)17(10-13(3)19(22)23)21-26(24,25)15-7-8-15/h5-6,9-10,15,21H,4,7-8,11H2,1-3H3
InChIKeyXATWJUAVJNFFDC-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.12
Rot. Bonds6

About N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 159206718) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
PubChem CID159206718
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCCn1c(Cc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)cc(C)c1=O
InChIInChI=1S/C19H23FN2O3S/c1-4-22-18(11-14-6-5-12(2)9-16(14)20)17(10-13(3)19(22)23)21-26(24,25)15-7-8-15/h5-6,9-10,15,21H,4,7-8,11H2,1-3H3
InChIKeyXATWJUAVJNFFDC-UHFFFAOYSA-N
XLogP3.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (CID 159206718) is N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is CCn1c(Cc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)cc(C)c1=O.
What is the InChIKey of N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is XATWJUAVJNFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-22-18(11-14-6-5-12(2)9-16(14)20)17(10-13(3)19(22)23)21-26(24,25)15-7-8-15/h5-6,9-10,15,21H,4,7-8,11H2,1-3H3.
What are the key properties of N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 159206718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).