N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

C16H19NO2S — CID 9370107

IUPACN-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2O)sc1C
InChIInChI=1S/C16H19NO2S/c1-4-5-12-9-15(20-11(12)3)16(19)17-13-7-6-10(2)8-14(13)18/h6-9,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyQHIBWSXZNYJTHY-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.28
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 9370107) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID9370107
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)cc2O)sc1C
InChIInChI=1S/C16H19NO2S/c1-4-5-12-9-15(20-11(12)3)16(19)17-13-7-6-10(2)8-14(13)18/h6-9,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyQHIBWSXZNYJTHY-UHFFFAOYSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26521783
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 9370107) is N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(C)cc2O)sc1C.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is QHIBWSXZNYJTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-5-12-9-15(20-11(12)3)16(19)17-13-7-6-10(2)8-14(13)18/h6-9,18H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 9370107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).