5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide

C22H27FN2O3S — CID 55396524

IUPAC5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C22H27FN2O3S/c1-15-5-12-19(29(27,28)24-22(2,3)4)13-20(15)21(26)25(18-10-11-18)14-16-6-8-17(23)9-7-16/h5-9,12-13,18,24H,10-11,14H2,1-4H3
InChIKeyPBBLZQWDVDGMGQ-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.02
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide (PubChem CID 55396524) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
PubChem CID55396524
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C22H27FN2O3S/c1-15-5-12-19(29(27,28)24-22(2,3)4)13-20(15)21(26)25(18-10-11-18)14-16-6-8-17(23)9-7-16/h5-9,12-13,18,24H,10-11,14H2,1-4H3
InChIKeyPBBLZQWDVDGMGQ-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide (CID 55396524) is 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
The InChIKey is PBBLZQWDVDGMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-15-5-12-19(29(27,28)24-22(2,3)4)13-20(15)21(26)25(18-10-11-18)14-16-6-8-17(23)9-7-16/h5-9,12-13,18,24H,10-11,14H2,1-4H3.
What are the key properties of 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide has a molecular weight of 418.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 55396524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).