N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide

C19H18F6N2O3S — CID 28557405

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F6N2O3S/c1-27(2)31(29,30)16-6-3-12(4-7-16)5-8-17(28)26-15-10-13(18(20,21)22)9-14(11-15)19(23,24)25/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,28)
InChIKeyKLMSWTZXKPTCCR-UHFFFAOYSA-N
MW468.42 g/mol
LogP4.55
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 28557405) has the molecular formula C19H18F6N2O3S and a molecular weight of 468.42 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID28557405
Molecular FormulaC19H18F6N2O3S
Molecular Weight468.42 g/mol
Exact Mass468.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F6N2O3S/c1-27(2)31(29,30)16-6-3-12(4-7-16)5-8-17(28)26-15-10-13(18(20,21)22)9-14(11-15)19(23,24)25/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,28)
InChIKeyKLMSWTZXKPTCCR-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 28554728
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2337896
N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonylpropanamide
CID 127504659
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
5-(dimethylsulfamoyl)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17488969

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 28557405) is N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is KLMSWTZXKPTCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O3S/c1-27(2)31(29,30)16-6-3-12(4-7-16)5-8-17(28)26-15-10-13(18(20,21)22)9-14(11-15)19(23,24)25/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 468.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28557405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).