2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide

C26H28FN3O4S — CID 21368313

IUPAC2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O4S/c1-35(33,34)30(22-15-13-21(27)14-16-22)19-7-12-25(31)29-24-11-6-5-10-23(24)26(32)28-18-17-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyOECOJVYXSVPSTD-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.98
Rot. Bonds11

About 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide

2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 21368313) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
PubChem CID21368313
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O4S/c1-35(33,34)30(22-15-13-21(27)14-16-22)19-7-12-25(31)29-24-11-6-5-10-23(24)26(32)28-18-17-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyOECOJVYXSVPSTD-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126413618
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
2-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 2942824
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide (CID 21368313) is 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is OECOJVYXSVPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-35(33,34)30(22-15-13-21(27)14-16-22)19-7-12-25(31)29-24-11-6-5-10-23(24)26(32)28-18-17-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide?
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 497.59 g/mol, XLogP of 3.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 21368313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).