N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide

C27H24N2O3S — CID 58594674

IUPACN-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cccnc1-c1ccccc1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C27H24N2O3S/c1-3-29(27(30)24-13-9-19-28-26(24)21-10-5-4-6-11-21)22-17-15-20(16-18-22)23-12-7-8-14-25(23)33(2,31)32/h4-19H,3H2,1-2H3
InChIKeyYCQPQBHEMBSTFB-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.49
Rot. Bonds6

About N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide

N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide (PubChem CID 58594674) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide
PubChem CID58594674
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC NameN-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cccnc1-c1ccccc1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C27H24N2O3S/c1-3-29(27(30)24-13-9-19-28-26(24)21-10-5-4-6-11-21)22-17-15-20(16-18-22)23-12-7-8-14-25(23)33(2,31)32/h4-19H,3H2,1-2H3
InChIKeyYCQPQBHEMBSTFB-UHFFFAOYSA-N
XLogP5.49
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide (CID 58594674) is N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide is CCN(C(=O)c1cccnc1-c1ccccc1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is YCQPQBHEMBSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-3-29(27(30)24-13-9-19-28-26(24)21-10-5-4-6-11-21)22-17-15-20(16-18-22)23-12-7-8-14-25(23)33(2,31)32/h4-19H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide?
N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 58594674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).