N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide

C24H26FN3O4S — CID 69051415

IUPACN-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide
SMILESCCN(CCNS(=O)(=O)c1cccc(-c2ccc(OC)nc2)c1C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-4-28(24(29)18-8-11-20(25)12-9-18)15-14-27-33(30,31)22-7-5-6-21(17(22)2)19-10-13-23(32-3)26-16-19/h5-13,16,27H,4,14-15H2,1-3H3
InChIKeyAMJJXJYAFWFIDQ-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.65
Rot. Bonds9

About N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide

N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide (PubChem CID 69051415) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide
PubChem CID69051415
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide
SMILESCCN(CCNS(=O)(=O)c1cccc(-c2ccc(OC)nc2)c1C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-4-28(24(29)18-8-11-20(25)12-9-18)15-14-27-33(30,31)22-7-5-6-21(17(22)2)19-10-13-23(32-3)26-16-19/h5-13,16,27H,4,14-15H2,1-3H3
InChIKeyAMJJXJYAFWFIDQ-UHFFFAOYSA-N
XLogP3.65
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide?
The IUPAC name of N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide (CID 69051415) is N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide is CCN(CCNS(=O)(=O)c1cccc(-c2ccc(OC)nc2)c1C)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide?
The InChIKey is AMJJXJYAFWFIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-4-28(24(29)18-8-11-20(25)12-9-18)15-14-27-33(30,31)22-7-5-6-21(17(22)2)19-10-13-23(32-3)26-16-19/h5-13,16,27H,4,14-15H2,1-3H3.
What are the key properties of N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide?
N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide has a molecular weight of 471.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[2-[[3-(6-methoxy-3-pyridinyl)-2-methylphenyl]sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 69051415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).