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

C18H21FN2O3S — CID 110496326

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-2-17(18(22)20-13-12-14-6-4-3-5-7-14)21-25(23,24)16-10-8-15(19)9-11-16/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyNHEPOFINPMMEOT-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.24
Rot. Bonds8

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

2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide (PubChem CID 110496326) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
PubChem CID110496326
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-2-17(18(22)20-13-12-14-6-4-3-5-7-14)21-25(23,24)16-10-8-15(19)9-11-16/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyNHEPOFINPMMEOT-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
2-[(4-fluorophenyl)sulfonylamino]-N-heptyl-3-phenylpropanamide
CID 20967531
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
2-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43871187
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
CID 110497979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide (CID 110496326) is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide?
The InChIKey is NHEPOFINPMMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-2-17(18(22)20-13-12-14-6-4-3-5-7-14)21-25(23,24)16-10-8-15(19)9-11-16/h3-11,17,21H,2,12-13H2,1H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide has a molecular weight of 364.44 g/mol, XLogP of 2.24, 8 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-(2-phenylethyl)butanamide is sourced from PubChem (CID 110496326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).