(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide

C21H26N2O3S — CID 117054642

IUPAC(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-3-6-18(7-4-16)13-14-27(24,25)23-19-8-10-20(11-9-19)26-21-12-5-17(2)15-22-21/h3-7,12-15,19-20,23H,8-11H2,1-2H3/b14-13+
InChIKeyHCYGTXFMJLKJAT-BUHFOSPRSA-N
MW386.52 g/mol
LogP3.98
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide (PubChem CID 117054642) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide
PubChem CID117054642
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-3-6-18(7-4-16)13-14-27(24,25)23-19-8-10-20(11-9-19)26-21-12-5-17(2)15-22-21/h3-7,12-15,19-20,23H,8-11H2,1-2H3/b14-13+
InChIKeyHCYGTXFMJLKJAT-BUHFOSPRSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide (CID 117054642) is (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide?
The InChIKey is HCYGTXFMJLKJAT-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-3-6-18(7-4-16)13-14-27(24,25)23-19-8-10-20(11-9-19)26-21-12-5-17(2)15-22-21/h3-7,12-15,19-20,23H,8-11H2,1-2H3/b14-13+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.98, 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-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide is sourced from PubChem (CID 117054642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).