N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide

C15H17NO2S — CID 65244086

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(C)c2O)sc1C
InChIInChI=1S/C15H17NO2S/c1-9-5-4-6-13(14(9)17)15(18)16-8-12-7-10(2)11(3)19-12/h4-7,17H,8H2,1-3H3,(H,16,18)
InChIKeyTWCJNJPVRDISAD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.31
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 65244086) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
PubChem CID65244086
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(C)c2O)sc1C
InChIInChI=1S/C15H17NO2S/c1-9-5-4-6-13(14(9)17)15(18)16-8-12-7-10(2)11(3)19-12/h4-7,17H,8H2,1-3H3,(H,16,18)
InChIKeyTWCJNJPVRDISAD-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
CID 65245704
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide (CID 65244086) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide is Cc1cc(CNC(=O)c2cccc(C)c2O)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is TWCJNJPVRDISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9-5-4-6-13(14(9)17)15(18)16-8-12-7-10(2)11(3)19-12/h4-7,17H,8H2,1-3H3,(H,16,18).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 275.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 65244086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).