N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide

C18H15NO2S2 — CID 168913883

IUPACN-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2O)cc1
InChIInChI=1S/C18H15NO2S2/c1-22-14-7-4-12(5-8-14)18(21)19-15-11-13(6-9-16(15)20)17-3-2-10-23-17/h2-11,20H,1H3,(H,19,21)
InChIKeyNUNUQLMOJPMAFC-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.09
Rot. Bonds4

About N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide

N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide (PubChem CID 168913883) has the molecular formula C18H15NO2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
PubChem CID168913883
Molecular FormulaC18H15NO2S2
Molecular Weight341.46 g/mol
Exact Mass341.05
IUPAC NameN-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2O)cc1
InChIInChI=1S/C18H15NO2S2/c1-22-14-7-4-12(5-8-14)18(21)19-15-11-13(6-9-16(15)20)17-3-2-10-23-17/h2-11,20H,1H3,(H,19,21)
InChIKeyNUNUQLMOJPMAFC-UHFFFAOYSA-N
XLogP5.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
CID 43358110
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
[4-[(2-hydroxy-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 66894999
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
tert-butyl N-[2-[[4-(2-bromoethyl)benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 154433126
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide (CID 168913883) is N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is NUNUQLMOJPMAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S2/c1-22-14-7-4-12(5-8-14)18(21)19-15-11-13(6-9-16(15)20)17-3-2-10-23-17/h2-11,20H,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 341.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 168913883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).