2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide

C17H21FN2O4S — CID 73419570

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(NS(=O)(=O)c1ccccc1F)C(C)C)c1ccco1
InChIInChI=1S/C17H21FN2O4S/c1-11(2)16(17(21)19-12(3)14-8-6-10-24-14)20-25(22,23)15-9-5-4-7-13(15)18/h4-12,16,20H,1-3H3,(H,19,21)
InChIKeyJSHDEGDUFKHUFB-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.60
Rot. Bonds7

About 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide (PubChem CID 73419570) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
PubChem CID73419570
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(NS(=O)(=O)c1ccccc1F)C(C)C)c1ccco1
InChIInChI=1S/C17H21FN2O4S/c1-11(2)16(17(21)19-12(3)14-8-6-10-24-14)20-25(22,23)15-9-5-4-7-13(15)18/h4-12,16,20H,1-3H3,(H,19,21)
InChIKeyJSHDEGDUFKHUFB-UHFFFAOYSA-N
XLogP2.60
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 39965551
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 41081163
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide (CID 73419570) is 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide is CC(NC(=O)C(NS(=O)(=O)c1ccccc1F)C(C)C)c1ccco1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is JSHDEGDUFKHUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-11(2)16(17(21)19-12(3)14-8-6-10-24-14)20-25(22,23)15-9-5-4-7-13(15)18/h4-12,16,20H,1-3H3,(H,19,21).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 368.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 73419570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).