2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide

C26H34N4O3S — CID 123900257

IUPAC2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide
SMILESCCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cncc2C)C1
InChIInChI=1S/C26H34N4O3S/c1-5-20-13-21(22-10-12-26(28-16-22)33-18(2)3)9-11-25(20)34(31,32)29-23-7-6-8-24(14-23)30-17-27-15-19(30)4/h9-13,15-18,23-24,29H,5-8,14H2,1-4H3
InChIKeyPLLAJXRWVZKDTQ-UHFFFAOYSA-N
MW482.65 g/mol
LogP5.07
Rot. Bonds8

About 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide

2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide (PubChem CID 123900257) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide
PubChem CID123900257
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide
SMILESCCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cncc2C)C1
InChIInChI=1S/C26H34N4O3S/c1-5-20-13-21(22-10-12-26(28-16-22)33-18(2)3)9-11-25(20)34(31,32)29-23-7-6-8-24(14-23)30-17-27-15-19(30)4/h9-13,15-18,23-24,29H,5-8,14H2,1-4H3
InChIKeyPLLAJXRWVZKDTQ-UHFFFAOYSA-N
XLogP5.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide (CID 123900257) is 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide is CCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cncc2C)C1.
What is the InChIKey of 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is PLLAJXRWVZKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-5-20-13-21(22-10-12-26(28-16-22)33-18(2)3)9-11-25(20)34(31,32)29-23-7-6-8-24(14-23)30-17-27-15-19(30)4/h9-13,15-18,23-24,29H,5-8,14H2,1-4H3.
What are the key properties of 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide?
2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 123900257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).