4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide

C23H23FN2O6S — CID 31307715

IUPAC4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C23H23FN2O6S/c1-4-32-21-11-5-15(13-22(21)31-3)23(27)25-17-8-12-20(30-2)19(14-17)26-33(28,29)18-9-6-16(24)7-10-18/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyBPJBDQLEALNBFW-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.29
Rot. Bonds9

About 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide

4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide (PubChem CID 31307715) has the molecular formula C23H23FN2O6S and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
PubChem CID31307715
Molecular FormulaC23H23FN2O6S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC Name4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C23H23FN2O6S/c1-4-32-21-11-5-15(13-22(21)31-3)23(27)25-17-8-12-20(30-2)19(14-17)26-33(28,29)18-9-6-16(24)7-10-18/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyBPJBDQLEALNBFW-UHFFFAOYSA-N
XLogP4.29
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide (CID 31307715) is 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide?
The InChIKey is BPJBDQLEALNBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O6S/c1-4-32-21-11-5-15(13-22(21)31-3)23(27)25-17-8-12-20(30-2)19(14-17)26-33(28,29)18-9-6-16(24)7-10-18/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide?
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide has a molecular weight of 474.51 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide is sourced from PubChem (CID 31307715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).