2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C21H20FN3O5S — CID 1305982

IUPAC2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O5S/c1-31(28,29)25(16-7-4-6-15(22)12-16)14-20(26)24-19-10-3-2-9-18(19)21(27)23-13-17-8-5-11-30-17/h2-12H,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyWJQPZEQUXCEMJK-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.75
Rot. Bonds8

About 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1305982) has the molecular formula C21H20FN3O5S and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1305982
Molecular FormulaC21H20FN3O5S
Molecular Weight445.47 g/mol
Exact Mass445.11
IUPAC Name2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O5S/c1-31(28,29)25(16-7-4-6-15(22)12-16)14-20(26)24-19-10-3-2-9-18(19)21(27)23-13-17-8-5-11-30-17/h2-12H,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyWJQPZEQUXCEMJK-UHFFFAOYSA-N
XLogP2.75
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317344
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126137005
2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 30268258
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(2-methylpropyl)-2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 1316764
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 1305982) is 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WJQPZEQUXCEMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5S/c1-31(28,29)25(16-7-4-6-15(22)12-16)14-20(26)24-19-10-3-2-9-18(19)21(27)23-13-17-8-5-11-30-17/h2-12H,13-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 445.47 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1305982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).