2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C21H19FN2O4S — CID 25470911

IUPAC2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccco1
InChIInChI=1S/C21H19FN2O4S/c22-18-8-10-19(11-9-18)24(16-21(25)23-15-20-7-4-13-28-20)29(26,27)14-12-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,23,25)/b14-12+
InChIKeyCNGVGSZCJKKHDY-WYMLVPIESA-N
MW414.46 g/mol
LogP3.54
Rot. Bonds8

About 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 25470911) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID25470911
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccco1
InChIInChI=1S/C21H19FN2O4S/c22-18-8-10-19(11-9-18)24(16-21(25)23-15-20-7-4-13-28-20)29(26,27)14-12-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,23,25)/b14-12+
InChIKeyCNGVGSZCJKKHDY-WYMLVPIESA-N
XLogP3.54
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 2097234
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 30268258
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 92664005
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 25470911) is 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CNGVGSZCJKKHDY-WYMLVPIESA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-18-8-10-19(11-9-18)24(16-21(25)23-15-20-7-4-13-28-20)29(26,27)14-12-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,23,25)/b14-12+.
What are the key properties of 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 25470911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).