2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

C20H25FN2O4S — CID 55607195

IUPAC2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C20H25FN2O4S/c1-12(2)23-28(25,26)15-7-8-18(21)17(11-15)20(24)22-14(4)16-10-13(3)6-9-19(16)27-5/h6-12,14,23H,1-5H3,(H,22,24)
InChIKeyKRXSARRWUVAFEK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.32
Rot. Bonds7

About 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55607195) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55607195
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C20H25FN2O4S/c1-12(2)23-28(25,26)15-7-8-18(21)17(11-15)20(24)22-14(4)16-10-13(3)6-9-19(16)27-5/h6-12,14,23H,1-5H3,(H,22,24)
InChIKeyKRXSARRWUVAFEK-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55606874
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
methyl 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]sulfamoyl]benzoate
CID 26530406
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 55607195) is 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C)cc1C(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F.
What is the InChIKey of 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KRXSARRWUVAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-12(2)23-28(25,26)15-7-8-18(21)17(11-15)20(24)22-14(4)16-10-13(3)6-9-19(16)27-5/h6-12,14,23H,1-5H3,(H,22,24).
What are the key properties of 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55607195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).