N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide

C15H17NO2S2 — CID 95982653

IUPACN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@@H](O)c1sccc1C
InChIInChI=1S/C15H17NO2S2/c1-10-7-8-20-14(10)12(17)9-16-15(18)11-5-3-4-6-13(11)19-2/h3-8,12,17H,9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyLWCBXIMVPYILPY-GFCCVEGCSA-N
MW307.44 g/mol
LogP3.24
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 95982653) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID95982653
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@@H](O)c1sccc1C
InChIInChI=1S/C15H17NO2S2/c1-10-7-8-20-14(10)12(17)9-16-15(18)11-5-3-4-6-13(11)19-2/h3-8,12,17H,9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyLWCBXIMVPYILPY-GFCCVEGCSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide 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

N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
CID 90496748
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide (CID 95982653) is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC[C@@H](O)c1sccc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is LWCBXIMVPYILPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-10-7-8-20-14(10)12(17)9-16-15(18)11-5-3-4-6-13(11)19-2/h3-8,12,17H,9H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide?
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 307.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 95982653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).