(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide

C20H24N2O3S — CID 117055063

IUPAC(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-4-6-17(7-5-16)10-14-26(23,24)22-20(18-8-12-25-13-9-18)19-3-2-11-21-15-19/h2-7,10-11,14-15,18,20,22H,8-9,12-13H2,1H3/b14-10+
InChIKeyQJHBIOLSPQUGSX-GXDHUFHOSA-N
MW372.49 g/mol
LogP3.45
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide (PubChem CID 117055063) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
PubChem CID117055063
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-4-6-17(7-5-16)10-14-26(23,24)22-20(18-8-12-25-13-9-18)19-3-2-11-21-15-19/h2-7,10-11,14-15,18,20,22H,8-9,12-13H2,1H3/b14-10+
InChIKeyQJHBIOLSPQUGSX-GXDHUFHOSA-N
XLogP3.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
CID 128502716
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702588
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
2-methoxy-5-[[(R)-oxan-4-yl(pyridin-3-yl)methyl]sulfamoyl]benzamide
CID 100702775
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 100702660
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide (CID 117055063) is (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide?
The InChIKey is QJHBIOLSPQUGSX-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-4-6-17(7-5-16)10-14-26(23,24)22-20(18-8-12-25-13-9-18)19-3-2-11-21-15-19/h2-7,10-11,14-15,18,20,22H,8-9,12-13H2,1H3/b14-10+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 117055063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).