4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide

C19H23FN2O3S — CID 29292702

IUPAC4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)22-26(24,25)17-9-7-15(8-10-17)18(23)21-12-11-14-5-4-6-16(20)13-14/h4-10,13,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyHUXLSSIVTCKWQR-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.88
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide

4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 29292702) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID29292702
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)22-26(24,25)17-9-7-15(8-10-17)18(23)21-12-11-14-5-4-6-16(20)13-14/h4-10,13,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyHUXLSSIVTCKWQR-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33319345
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 29292702) is 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is HUXLSSIVTCKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-19(2,3)22-26(24,25)17-9-7-15(8-10-17)18(23)21-12-11-14-5-4-6-16(20)13-14/h4-10,13,22H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 29292702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).