N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide

C18H18F3NO4S — CID 166447687

IUPACN-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide
SMILESCOc1ccc(C(O)(CS(=O)c2ccc(NC(C)=O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO4S/c1-12(23)22-14-5-9-16(10-6-14)27(25)11-17(24,18(19,20)21)13-3-7-15(26-2)8-4-13/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyARMZTFLZMOMAAF-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide

N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide (PubChem CID 166447687) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide
PubChem CID166447687
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC NameN-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide
SMILESCOc1ccc(C(O)(CS(=O)c2ccc(NC(C)=O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO4S/c1-12(23)22-14-5-9-16(10-6-14)27(25)11-17(24,18(19,20)21)13-3-7-15(26-2)8-4-13/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyARMZTFLZMOMAAF-UHFFFAOYSA-N
XLogP3.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide 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

2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
6,6,6-trifluoro-5-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-oxohexanoic acid
CID 122573519
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide?
The IUPAC name of N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide (CID 166447687) is N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide.
What is the SMILES notation for N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide?
The canonical SMILES for N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide is COc1ccc(C(O)(CS(=O)c2ccc(NC(C)=O)cc2)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide?
The InChIKey is ARMZTFLZMOMAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-12(23)22-14-5-9-16(10-6-14)27(25)11-17(24,18(19,20)21)13-3-7-15(26-2)8-4-13/h3-10,24H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide?
N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide is sourced from PubChem (CID 166447687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).