2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide

C18H21FN2O3S — CID 110496340

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13(2)14-7-5-4-6-8-14)21-25(23,24)16-11-9-15(19)10-12-16/h4-13,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyGACIKJCYUGSFSV-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.76
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide (PubChem CID 110496340) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
PubChem CID110496340
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13(2)14-7-5-4-6-8-14)21-25(23,24)16-11-9-15(19)10-12-16/h4-13,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyGACIKJCYUGSFSV-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28541376
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28541378
2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
CID 110496326
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide (CID 110496340) is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide?
The InChIKey is GACIKJCYUGSFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13(2)14-7-5-4-6-8-14)21-25(23,24)16-11-9-15(19)10-12-16/h4-13,17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide has a molecular weight of 364.44 g/mol, XLogP of 2.76, 7 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-(1-phenylethyl)butanamide is sourced from PubChem (CID 110496340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).