2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide

C31H30FN3O5S — CID 126413618

IUPAC2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H30FN3O5S/c1-2-40-26-16-14-25(15-17-26)35(41(38,39)27-18-12-24(32)13-19-27)22-30(36)34-29-11-7-6-10-28(29)31(37)33-21-20-23-8-4-3-5-9-23/h3-19H,2,20-22H2,1H3,(H,33,37)(H,34,36)
InChIKeyGQEZXUSHEUPTBK-UHFFFAOYSA-N
MW575.66 g/mol
LogP5.03
Rot. Bonds12

About 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 126413618) has the molecular formula C31H30FN3O5S and a molecular weight of 575.66 g/mol. Its IUPAC name is 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID126413618
Molecular FormulaC31H30FN3O5S
Molecular Weight575.66 g/mol
Exact Mass575.19
IUPAC Name2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H30FN3O5S/c1-2-40-26-16-14-25(15-17-26)35(41(38,39)27-18-12-24(32)13-19-27)22-30(36)34-29-11-7-6-10-28(29)31(37)33-21-20-23-8-4-3-5-9-23/h3-19H,2,20-22H2,1H3,(H,33,37)(H,34,36)
InChIKeyGQEZXUSHEUPTBK-UHFFFAOYSA-N
XLogP5.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.66
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
2-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126121089
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301813
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
N-benzyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032362
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126276494
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126135286
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 126413618) is 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide is CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is GQEZXUSHEUPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O5S/c1-2-40-26-16-14-25(15-17-26)35(41(38,39)27-18-12-24(32)13-19-27)22-30(36)34-29-11-7-6-10-28(29)31(37)33-21-20-23-8-4-3-5-9-23/h3-19H,2,20-22H2,1H3,(H,33,37)(H,34,36).
What are the key properties of 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 575.66 g/mol, XLogP of 5.03, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 126413618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).