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

C18H21FN2O3S — CID 110499158

IUPACN-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCc1ccccc1NC(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-7-5-6-8-17(13)20-18(22)16(4-2)21-25(23,24)15-11-9-14(19)10-12-15/h5-12,16,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyZKKKRIGSTHSOJZ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.08
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110499158) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110499158
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCc1ccccc1NC(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-7-5-6-8-17(13)20-18(22)16(4-2)21-25(23,24)15-11-9-14(19)10-12-15/h5-12,16,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyZKKKRIGSTHSOJZ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
CID 110496326
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
N-(8-ethyl-9H-carbazol-2-yl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499212
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110499158) is N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCc1ccccc1NC(=O)C(CC)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is ZKKKRIGSTHSOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-13-7-5-6-8-17(13)20-18(22)16(4-2)21-25(23,24)15-11-9-14(19)10-12-15/h5-12,16,21H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 364.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110499158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).