N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C20H25FN2O4S — CID 60555111

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)(C)C)ccc1OC
InChIInChI=1S/C20H25FN2O4S/c1-20(2,3)18(13-6-9-15(21)10-7-13)23-19(24)14-8-11-16(27-5)17(12-14)28(25,26)22-4/h6-12,18,22H,1-5H3,(H,23,24)
InChIKeyAPNHHVDNMCDRDL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 60555111) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID60555111
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)(C)C)ccc1OC
InChIInChI=1S/C20H25FN2O4S/c1-20(2,3)18(13-6-9-15(21)10-7-13)23-19(24)14-8-11-16(27-5)17(12-14)28(25,26)22-4/h6-12,18,22H,1-5H3,(H,23,24)
InChIKeyAPNHHVDNMCDRDL-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51317743
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974481
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55995317
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 60555111) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)(C)C)ccc1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is APNHHVDNMCDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-20(2,3)18(13-6-9-15(21)10-7-13)23-19(24)14-8-11-16(27-5)17(12-14)28(25,26)22-4/h6-12,18,22H,1-5H3,(H,23,24).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 60555111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).