N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide

C13H13NO2S — CID 28739196

IUPACN-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H13NO2S/c1-9-7-8-17-12(9)13(16)14(2)10-3-5-11(15)6-4-10/h3-8,15H,1-2H3
InChIKeyCDDSYKDIZZQYDT-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.04
Rot. Bonds2

About N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide

N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide (PubChem CID 28739196) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide
PubChem CID28739196
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H13NO2S/c1-9-7-8-17-12(9)13(16)14(2)10-3-5-11(15)6-4-10/h3-8,15H,1-2H3
InChIKeyCDDSYKDIZZQYDT-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(4-hydroxyphenyl)-2-iodo-N,3-dimethylbenzamide
CID 103750397
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
CID 91068809
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3-bromo-N-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 60778208
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide (CID 28739196) is N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is CDDSYKDIZZQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-7-8-17-12(9)13(16)14(2)10-3-5-11(15)6-4-10/h3-8,15H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide?
N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 28739196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).