N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

C20H25FN2O5S — CID 55606874

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1
InChIInChI=1S/C20H25FN2O5S/c1-12(2)23-29(25,26)15-7-8-18(21)17(11-15)20(24)22-13(3)16-10-14(27-4)6-9-19(16)28-5/h6-13,23H,1-5H3,(H,22,24)
InChIKeyXDVMYFPULALECQ-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.02
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55606874) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55606874
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1
InChIInChI=1S/C20H25FN2O5S/c1-12(2)23-29(25,26)15-7-8-18(21)17(11-15)20(24)22-13(3)16-10-14(27-4)6-9-19(16)28-5/h6-13,23H,1-5H3,(H,22,24)
InChIKeyXDVMYFPULALECQ-UHFFFAOYSA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (CID 55606874) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XDVMYFPULALECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-12(2)23-29(25,26)15-7-8-18(21)17(11-15)20(24)22-13(3)16-10-14(27-4)6-9-19(16)28-5/h6-13,23H,1-5H3,(H,22,24).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 424.49 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55606874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).