3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide

C19H23FN2O4S — CID 34227801

IUPAC3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23FN2O4S/c1-12-6-8-14(11-15(12)20)21-18(23)13-7-9-16(26-5)17(10-13)27(24,25)22-19(2,3)4/h6-11,22H,1-5H3,(H,21,23)
InChIKeyQBCJPENVVJEQAK-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.47
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide (PubChem CID 34227801) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
PubChem CID34227801
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23FN2O4S/c1-12-6-8-14(11-15(12)20)21-18(23)13-7-9-16(26-5)17(10-13)27(24,25)22-19(2,3)4/h6-11,22H,1-5H3,(H,21,23)
InChIKeyQBCJPENVVJEQAK-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 39731063
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide (CID 34227801) is 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide?
The InChIKey is QBCJPENVVJEQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-12-6-8-14(11-15(12)20)21-18(23)13-7-9-16(26-5)17(10-13)27(24,25)22-19(2,3)4/h6-11,22H,1-5H3,(H,21,23).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide has a molecular weight of 394.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 34227801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).