2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C27H22F3N3O5S — CID 126137005

IUPAC2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H22F3N3O5S/c28-27(29,30)19-8-6-9-20(16-19)33(39(36,37)22-11-2-1-3-12-22)18-25(34)32-24-14-5-4-13-23(24)26(35)31-17-21-10-7-15-38-21/h1-16H,17-18H2,(H,31,35)(H,32,34)
InChIKeyUFXMRNLABNIBPE-UHFFFAOYSA-N
MW557.55 g/mol
LogP5.06
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 126137005) has the molecular formula C27H22F3N3O5S and a molecular weight of 557.55 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID126137005
Molecular FormulaC27H22F3N3O5S
Molecular Weight557.55 g/mol
Exact Mass557.12
IUPAC Name2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H22F3N3O5S/c28-27(29,30)19-8-6-9-20(16-19)33(39(36,37)22-11-2-1-3-12-22)18-25(34)32-24-14-5-4-13-23(24)26(35)31-17-21-10-7-15-38-21/h1-16H,17-18H2,(H,31,35)(H,32,34)
InChIKeyUFXMRNLABNIBPE-UHFFFAOYSA-N
XLogP5.06
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126149658
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1210649
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1305982
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
CID 126268693
N-(2-methylpropyl)-2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 1316764
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]-N-benzylbenzamide
CID 126035791
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
2-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 30268258
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
N-butyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 43900138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 126137005) is 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UFXMRNLABNIBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O5S/c28-27(29,30)19-8-6-9-20(16-19)33(39(36,37)22-11-2-1-3-12-22)18-25(34)32-24-14-5-4-13-23(24)26(35)31-17-21-10-7-15-38-21/h1-16H,17-18H2,(H,31,35)(H,32,34).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 557.55 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 126137005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).