N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide

C23H20ClF3N2O5S — CID 21367107

IUPACN-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20ClF3N2O5S/c1-14(34-18-8-6-17(33-2)7-9-18)22(30)28-15-3-10-19(11-4-15)35(31,32)29-16-5-12-21(24)20(13-16)23(25,26)27/h3-14,29H,1-2H3,(H,28,30)
InChIKeyVGCHKIYSLAUHFL-UHFFFAOYSA-N
MW528.94 g/mol
LogP5.57
Rot. Bonds8

About N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 21367107) has the molecular formula C23H20ClF3N2O5S and a molecular weight of 528.94 g/mol. Its IUPAC name is N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID21367107
Molecular FormulaC23H20ClF3N2O5S
Molecular Weight528.94 g/mol
Exact Mass528.07
IUPAC NameN-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20ClF3N2O5S/c1-14(34-18-8-6-17(33-2)7-9-18)22(30)28-15-3-10-19(11-4-15)35(31,32)29-16-5-12-21(24)20(13-16)23(25,26)27/h3-14,29H,1-2H3,(H,28,30)
InChIKeyVGCHKIYSLAUHFL-UHFFFAOYSA-N
XLogP5.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.94
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 43916851
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28632657

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide (CID 21367107) is N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is VGCHKIYSLAUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O5S/c1-14(34-18-8-6-17(33-2)7-9-18)22(30)28-15-3-10-19(11-4-15)35(31,32)29-16-5-12-21(24)20(13-16)23(25,26)27/h3-14,29H,1-2H3,(H,28,30).
What are the key properties of N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 528.94 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 21367107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).