N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide

C23H22FN3O4S — CID 1307009

IUPACN-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c1-32(30,31)27(19-13-11-18(24)12-14-19)16-22(28)26-21-10-6-5-9-20(21)23(29)25-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyJZFADINMYMLDET-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.16
Rot. Bonds8

About N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 1307009) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID1307009
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c1-32(30,31)27(19-13-11-18(24)12-14-19)16-22(28)26-21-10-6-5-9-20(21)23(29)25-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyJZFADINMYMLDET-UHFFFAOYSA-N
XLogP3.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-benzylbenzamide
CID 126032953
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]-N-benzylbenzamide
CID 126035787
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 1307009) is N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is JZFADINMYMLDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-32(30,31)27(19-13-11-18(24)12-14-19)16-22(28)26-21-10-6-5-9-20(21)23(29)25-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 1307009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).