N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C24H20F6N2O4S — CID 94861614

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H20F6N2O4S/c1-15(16-5-3-2-4-6-16)32-37(34,35)21-9-7-20(8-10-21)36-14-22(33)31-19-12-17(23(25,26)27)11-18(13-19)24(28,29)30/h2-13,15,32H,14H2,1H3,(H,31,33)/t15-/m1/s1
InChIKeyQXLMDAHGASBDLH-OAHLLOKOSA-N
MW546.49 g/mol
LogP5.78
Rot. Bonds8

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 94861614) has the molecular formula C24H20F6N2O4S and a molecular weight of 546.49 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID94861614
Molecular FormulaC24H20F6N2O4S
Molecular Weight546.49 g/mol
Exact Mass546.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H20F6N2O4S/c1-15(16-5-3-2-4-6-16)32-37(34,35)21-9-7-20(8-10-21)36-14-22(33)31-19-12-17(23(25,26)27)11-18(13-19)24(28,29)30/h2-13,15,32H,14H2,1H3,(H,31,33)/t15-/m1/s1
InChIKeyQXLMDAHGASBDLH-OAHLLOKOSA-N
XLogP5.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.49
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126150148
methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126152181
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-(2,6-diethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254461

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 94861614) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccccc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is QXLMDAHGASBDLH-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20F6N2O4S/c1-15(16-5-3-2-4-6-16)32-37(34,35)21-9-7-20(8-10-21)36-14-22(33)31-19-12-17(23(25,26)27)11-18(13-19)24(28,29)30/h2-13,15,32H,14H2,1H3,(H,31,33)/t15-/m1/s1.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 546.49 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 94861614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).