N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide

C14H15NO2S2 — CID 52992609

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H15NO2S2/c1-18-13-5-3-2-4-11(13)14(17)15-8-12(16)10-6-7-19-9-10/h2-7,9,12,16H,8H2,1H3,(H,15,17)
InChIKeyRTIAJGLJTMDFME-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide (PubChem CID 52992609) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide
PubChem CID52992609
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H15NO2S2/c1-18-13-5-3-2-4-11(13)14(17)15-8-12(16)10-6-7-19-9-10/h2-7,9,12,16H,8H2,1H3,(H,15,17)
InChIKeyRTIAJGLJTMDFME-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide (CID 52992609) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide?
The InChIKey is RTIAJGLJTMDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-18-13-5-3-2-4-11(13)14(17)15-8-12(16)10-6-7-19-9-10/h2-7,9,12,16H,8H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 52992609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).