N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide

C16H19NO2S2 — CID 75430929

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C16H19NO2S2/c1-9(2)11-8-12(10(3)7-13(11)18)17-16(19)15-14(20-4)5-6-21-15/h5-9,18H,1-4H3,(H,17,19)
InChIKeyMVTRRWLGIUMSLR-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.86
Rot. Bonds4

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 75430929) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID75430929
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C16H19NO2S2/c1-9(2)11-8-12(10(3)7-13(11)18)17-16(19)15-14(20-4)5-6-21-15/h5-9,18H,1-4H3,(H,17,19)
InChIKeyMVTRRWLGIUMSLR-UHFFFAOYSA-N
XLogP4.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
CID 748446
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755
5-methyl-4-(methylamino)-2-propan-2-ylphenol
CID 82266002
3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 19509385
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 99697971

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide (CID 75430929) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is MVTRRWLGIUMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-9(2)11-8-12(10(3)7-13(11)18)17-16(19)15-14(20-4)5-6-21-15/h5-9,18H,1-4H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 75430929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).