N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C23H22FN3O5S — CID 30859962

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-2-25-22(28)15-32-18-12-10-17(11-13-18)26-23(29)16-6-5-7-19(14-16)33(30,31)27-21-9-4-3-8-20(21)24/h3-14,27H,2,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyZJKQHZXRSZPLFO-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.39
Rot. Bonds9

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 30859962) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID30859962
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C23H22FN3O5S/c1-2-25-22(28)15-32-18-12-10-17(11-13-18)26-23(29)16-6-5-7-19(14-16)33(30,31)27-21-9-4-3-8-20(21)24/h3-14,27H,2,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyZJKQHZXRSZPLFO-UHFFFAOYSA-N
XLogP3.39
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 30859962) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is CCNC(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is ZJKQHZXRSZPLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-2-25-22(28)15-32-18-12-10-17(11-13-18)26-23(29)16-6-5-7-19(14-16)33(30,31)27-21-9-4-3-8-20(21)24/h3-14,27H,2,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30859962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).