4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide

C18H23N3O3S — CID 31528348

IUPAC4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-9-7-14(8-10-16)17(22)20-13-11-15-6-4-5-12-19-15/h4-10,12,21H,11,13H2,1-3H3,(H,20,22)
InChIKeyWSDWBMSMFDGMIX-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.13
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide

4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 31528348) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID31528348
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-9-7-14(8-10-16)17(22)20-13-11-15-6-4-5-12-19-15/h4-10,12,21H,11,13H2,1-3H3,(H,20,22)
InChIKeyWSDWBMSMFDGMIX-UHFFFAOYSA-N
XLogP2.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
tert-butyl 7-[[4-(pyridin-2-ylmethylsulfamoyl)benzoyl]amino]heptanoate
CID 170959729
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide (CID 31528348) is 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is WSDWBMSMFDGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-9-7-14(8-10-16)17(22)20-13-11-15-6-4-5-12-19-15/h4-10,12,21H,11,13H2,1-3H3,(H,20,22).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 31528348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).