N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide

C15H17NO2S — CID 79038909

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESCc1cc(CNC(=O)Cc2ccccc2O)sc1C
InChIInChI=1S/C15H17NO2S/c1-10-7-13(19-11(10)2)9-16-15(18)8-12-5-3-4-6-14(12)17/h3-7,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyBTZCSSZRBGOFMA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.93
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 79038909) 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-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID79038909
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESCc1cc(CNC(=O)Cc2ccccc2O)sc1C
InChIInChI=1S/C15H17NO2S/c1-10-7-13(19-11(10)2)9-16-15(18)8-12-5-3-4-6-14(12)17/h3-7,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyBTZCSSZRBGOFMA-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-[2-[(4,5-dimethylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570047
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
CID 65241174
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide (CID 79038909) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide is Cc1cc(CNC(=O)Cc2ccccc2O)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is BTZCSSZRBGOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-7-13(19-11(10)2)9-16-15(18)8-12-5-3-4-6-14(12)17/h3-7,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 275.37 g/mol, XLogP of 2.93, 4 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-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 79038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).