2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

C18H21FN2O3S — CID 4539824

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)14-4-8-16(9-5-14)20-18(22)13(3)21-25(23,24)17-10-6-15(19)7-11-17/h4-13,21H,1-3H3,(H,20,22)
InChIKeyQSCYKOANUOBEHK-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.25
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 4539824) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID4539824
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)14-4-8-16(9-5-14)20-18(22)13(3)21-25(23,24)17-10-6-15(19)7-11-17/h4-13,21H,1-3H3,(H,20,22)
InChIKeyQSCYKOANUOBEHK-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55972204
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (CID 4539824) is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is QSCYKOANUOBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)14-4-8-16(9-5-14)20-18(22)13(3)21-25(23,24)17-10-6-15(19)7-11-17/h4-13,21H,1-3H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 4539824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).