3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C19H20F3N3O5S — CID 55932643

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-2-30-15-8-6-14(7-9-15)25-31(28,29)16-5-3-4-13(10-16)18(27)23-11-17(26)24-12-19(20,21)22/h3-10,25H,2,11-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyXPZURNVDCPLLPR-UHFFFAOYSA-N
MW459.45 g/mol
LogP2.29
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 55932643) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID55932643
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-2-30-15-8-6-14(7-9-15)25-31(28,29)16-5-3-4-13(10-16)18(27)23-11-17(26)24-12-19(20,21)22/h3-10,25H,2,11-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyXPZURNVDCPLLPR-UHFFFAOYSA-N
XLogP2.29
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 47062724
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 55932643) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCC(F)(F)F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is XPZURNVDCPLLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c1-2-30-15-8-6-14(7-9-15)25-31(28,29)16-5-3-4-13(10-16)18(27)23-11-17(26)24-12-19(20,21)22/h3-10,25H,2,11-12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 459.45 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 55932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).