3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C18H22FN3O3S — CID 86820808

IUPAC3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-6-5-7-14(21-12)11-20-17(23)13-8-9-15(19)16(10-13)26(24,25)22-18(2,3)4/h5-10,22H,11H2,1-4H3,(H,20,23)
InChIKeySUWJRNOIAHTOEV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.54
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 86820808) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID86820808
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-6-5-7-14(21-12)11-20-17(23)13-8-9-15(19)16(10-13)26(24,25)22-18(2,3)4/h5-10,22H,11H2,1-4H3,(H,20,23)
InChIKeySUWJRNOIAHTOEV-UHFFFAOYSA-N
XLogP2.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
3-(tert-butylsulfamoyl)-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043611
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 86820808) is 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is SUWJRNOIAHTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-6-5-7-14(21-12)11-20-17(23)13-8-9-15(19)16(10-13)26(24,25)22-18(2,3)4/h5-10,22H,11H2,1-4H3,(H,20,23).
What are the key properties of 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 86820808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).