3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C23H22FN3O5S — CID 25161540

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-27(15-22(28)25-18-10-12-20(32-2)13-11-18)23(29)16-4-3-5-21(14-16)33(30,31)26-19-8-6-17(24)7-9-19/h3-14,26H,15H2,1-2H3,(H,25,28)
InChIKeyBMPCKRUOKYSAAU-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.35
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 25161540) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID25161540
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-27(15-22(28)25-18-10-12-20(32-2)13-11-18)23(29)16-4-3-5-21(14-16)33(30,31)26-19-8-6-17(24)7-9-19/h3-14,26H,15H2,1-2H3,(H,25,28)
InChIKeyBMPCKRUOKYSAAU-UHFFFAOYSA-N
XLogP3.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 25161540) is 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is BMPCKRUOKYSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-27(15-22(28)25-18-10-12-20(32-2)13-11-18)23(29)16-4-3-5-21(14-16)33(30,31)26-19-8-6-17(24)7-9-19/h3-14,26H,15H2,1-2H3,(H,25,28).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 471.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 25161540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).