N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide

C15H17NO2S — CID 111119709

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-5-3-4-6-12(10)13(17)9-16-15(18)14-11(2)7-8-19-14/h3-8,13,17H,9H2,1-2H3,(H,16,18)
InChIKeyAYLMOAWZOYYXEA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.83
Rot. Bonds4

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 111119709) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID111119709
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-5-3-4-6-12(10)13(17)9-16-15(18)14-11(2)7-8-19-14/h3-8,13,17H,9H2,1-2H3,(H,16,18)
InChIKeyAYLMOAWZOYYXEA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 75381614
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
methyl 2-bromo-3-[(3-methylthiophene-2-carbonyl)amino]propanoate
CID 103492454

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide (CID 111119709) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccccc1C(O)CNC(=O)c1sccc1C.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is AYLMOAWZOYYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-5-3-4-6-12(10)13(17)9-16-15(18)14-11(2)7-8-19-14/h3-8,13,17H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 111119709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).