N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide

C18H15NO2S — CID 58121047

IUPACN-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide
SMILESCc1cscc1-c1cccc(-c2ccccc2C(=O)NO)c1
InChIInChI=1S/C18H15NO2S/c1-12-10-22-11-17(12)14-6-4-5-13(9-14)15-7-2-3-8-16(15)18(20)19-21/h2-11,21H,1H3,(H,19,20)
InChIKeyDFFJMVHMIACZRA-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.51
Rot. Bonds3

About N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide

N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide (PubChem CID 58121047) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide
PubChem CID58121047
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC NameN-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide
SMILESCc1cscc1-c1cccc(-c2ccccc2C(=O)NO)c1
InChIInChI=1S/C18H15NO2S/c1-12-10-22-11-17(12)14-6-4-5-13(9-14)15-7-2-3-8-16(15)18(20)19-21/h2-11,21H,1H3,(H,19,20)
InChIKeyDFFJMVHMIACZRA-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
N-hydroxy-2,5-diphenylbenzamide
CID 58121123
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
CID 118529854
bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
N,2-dihydroxybenzamide;ethane
CID 91440405
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
methyl 3-methyl-2-[2-(3-phenylphenyl)phenyl]benzoate
CID 154647076

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide?
The IUPAC name of N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide (CID 58121047) is N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide.
What is the SMILES notation for N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide?
The canonical SMILES for N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide is Cc1cscc1-c1cccc(-c2ccccc2C(=O)NO)c1.
What is the InChIKey of N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide?
The InChIKey is DFFJMVHMIACZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-12-10-22-11-17(12)14-6-4-5-13(9-14)15-7-2-3-8-16(15)18(20)19-21/h2-11,21H,1H3,(H,19,20).
What are the key properties of N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide?
N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide is sourced from PubChem (CID 58121047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).