N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide

C11H11F3N2O3S — CID 106165344

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)20-8-4-2-1-3-6(8)10(19)16-5-7(17)9(15)18/h1-4,7,17H,5H2,(H2,15,18)(H,16,19)
InChIKeyUQEHGUGWCOGLDN-UHFFFAOYSA-N
MW308.28 g/mol
LogP0.87
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 106165344) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID106165344
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)20-8-4-2-1-3-6(8)10(19)16-5-7(17)9(15)18/h1-4,7,17H,5H2,(H2,15,18)(H,16,19)
InChIKeyUQEHGUGWCOGLDN-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
5-[[2-(trifluoromethylsulfanyl)benzoyl]amino]pentanoic acid
CID 62033399
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
2-amino-1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 170860575
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55880032
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
CID 78860224
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide (CID 106165344) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide is NC(=O)C(O)CNC(=O)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is UQEHGUGWCOGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)20-8-4-2-1-3-6(8)10(19)16-5-7(17)9(15)18/h1-4,7,17H,5H2,(H2,15,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 308.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 106165344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).