2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C24H20FN3O5S2 — CID 30268258

IUPAC2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H20FN3O5S2/c25-17-9-11-18(12-10-17)28(35(31,32)23-8-4-14-34-23)16-22(29)27-21-7-2-1-6-20(21)24(30)26-15-19-5-3-13-33-19/h1-14H,15-16H2,(H,26,30)(H,27,29)
InChIKeyLDTYMLLFGDJEOO-UHFFFAOYSA-N
MW513.57 g/mol
LogP4.24
Rot. Bonds9

About 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 30268258) has the molecular formula C24H20FN3O5S2 and a molecular weight of 513.57 g/mol. Its IUPAC name is 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID30268258
Molecular FormulaC24H20FN3O5S2
Molecular Weight513.57 g/mol
Exact Mass513.08
IUPAC Name2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H20FN3O5S2/c25-17-9-11-18(12-10-17)28(35(31,32)23-8-4-14-34-23)16-22(29)27-21-7-2-1-6-20(21)24(30)26-15-19-5-3-13-33-19/h1-14H,15-16H2,(H,26,30)(H,27,29)
InChIKeyLDTYMLLFGDJEOO-UHFFFAOYSA-N
XLogP4.24
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317344
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1305982
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126137005
2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126410543
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 30268258) is 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LDTYMLLFGDJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S2/c25-17-9-11-18(12-10-17)28(35(31,32)23-8-4-14-34-23)16-22(29)27-21-7-2-1-6-20(21)24(30)26-15-19-5-3-13-33-19/h1-14H,15-16H2,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 513.57 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 30268258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).