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2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

C30H38FN3O4S — CID 159788811

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2CCC2CCCCC2)n1.[H][H]
InChIInChI=1S/C30H36FN3O4S.H2/c1-20(2)19-38-25-17-23(16-24(31)18-25)27-15-13-26(28(33-27)14-12-22-9-5-4-6-10-22)30(35)34-39(36,37)29-11-7-8-21(3)32-29;/h7-8,11,13,15-18,20,22H,4-6,9-10,12,14,19H2,1-3H3,(H,34,35);1H
InChIKeyNIHIKTBYBQNFEO-UHFFFAOYSA-N
MW555.72 g/mol
LogP6.50
Rot. Bonds10

About 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159788811) has the molecular formula C30H38FN3O4S and a molecular weight of 555.72 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
PubChem CID159788811
Molecular FormulaC30H38FN3O4S
Molecular Weight555.72 g/mol
Exact Mass555.26
IUPAC Name2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2CCC2CCCCC2)n1.[H][H]
InChIInChI=1S/C30H36FN3O4S.H2/c1-20(2)19-38-25-17-23(16-24(31)18-25)27-15-13-26(28(33-27)14-12-22-9-5-4-6-10-22)30(35)34-39(36,37)29-11-7-8-21(3)32-29;/h7-8,11,13,15-18,20,22H,4-6,9-10,12,14,19H2,1-3H3,(H,34,35);1H
InChIKeyNIHIKTBYBQNFEO-UHFFFAOYSA-N
XLogP6.50
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 159788811) is 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2CCC2CCCCC2)n1.[H][H].
What is the InChIKey of 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is NIHIKTBYBQNFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O4S.H2/c1-20(2)19-38-25-17-23(16-24(31)18-25)27-15-13-26(28(33-27)14-12-22-9-5-4-6-10-22)30(35)34-39(36,37)29-11-7-8-21(3)32-29;/h7-8,11,13,15-18,20,22H,4-6,9-10,12,14,19H2,1-3H3,(H,34,35);1H.
What are the key properties of 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?
2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 555.72 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159788811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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