4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide

C19H18ClF3N2O3S — CID 57327361

IUPAC4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H18ClF3N2O3S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)29-12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyGBGDOJBGOGWZKH-GOSISDBHSA-N
MW446.88 g/mol
LogP4.44
Rot. Bonds5

About 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide

4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide (PubChem CID 57327361) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide
PubChem CID57327361
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC Name4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H18ClF3N2O3S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)29-12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyGBGDOJBGOGWZKH-GOSISDBHSA-N
XLogP4.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd7545
CID 16741245
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N,N-dimethylbenzamide
CID 9805105
[3-Chloro-4-[(2-fluorobenzoyl)amino]phenyl]thiocyanate
CID 803942
4-chloro-N-[4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfanylphenyl]benzamide
CID 17922898
N-[2-chloro-4-[4-(thiomorpholine-4-carbonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 17922901
Tert-butyl 4-[4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzoyl]piperazine-1-carboxylate
CID 17922910
N-[2-chloro-4-[4-(1,3-thiazolidine-3-carbonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 17922913
N-[2-chloro-4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 17922915
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-(2,3-dihydroxypropyl)benzamide
CID 17922926
N-[2-chloro-4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 17922927
N-[2-chloro-4-[2-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 17922939
3-[3-Chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 17922954

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide (CID 57327361) is 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide?
The InChIKey is GBGDOJBGOGWZKH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)29-12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide?
4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide has a molecular weight of 446.88 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 57327361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).