2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide

C23H24FN3O5S — CID 3206862

IUPAC2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O5S/c1-2-21(23(29)25-15-19-7-6-14-32-19)27(18-12-10-17(24)11-13-18)22(28)16-26-33(30,31)20-8-4-3-5-9-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29)
InChIKeyWGQOJRCIYQUUOA-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.83
Rot. Bonds10

About 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide

2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide (PubChem CID 3206862) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
PubChem CID3206862
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O5S/c1-2-21(23(29)25-15-19-7-6-14-32-19)27(18-12-10-17(24)11-13-18)22(28)16-26-33(30,31)20-8-4-3-5-9-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29)
InChIKeyWGQOJRCIYQUUOA-UHFFFAOYSA-N
XLogP2.83
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3207131
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 3206824
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
CID 3206997
N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 3206990
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207077
N-[2-(4-fluoro-N-[2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215302
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 133149624
2-[(4-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 166191856

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide (CID 3206862) is 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is WGQOJRCIYQUUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-2-21(23(29)25-15-19-7-6-14-32-19)27(18-12-10-17(24)11-13-18)22(28)16-26-33(30,31)20-8-4-3-5-9-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29).
What are the key properties of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide?
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 473.53 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3206862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).