5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide

C16H19NO4S2 — CID 39959659

IUPAC5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1C
InChIInChI=1S/C16H19NO4S2/c1-4-14-10(3)8-15(22-14)16(19)17-12-9-11(6-7-13(12)18)23(20,21)5-2/h6-9,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyQGJVOVMJSCJRCY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.37
Rot. Bonds5

About 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 39959659) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide
PubChem CID39959659
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1C
InChIInChI=1S/C16H19NO4S2/c1-4-14-10(3)8-15(22-14)16(19)17-12-9-11(6-7-13(12)18)23(20,21)5-2/h6-9,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyQGJVOVMJSCJRCY-UHFFFAOYSA-N
XLogP3.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2688116
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 5012901
5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 17392362
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-Hydroxy-5-methylphenyl)-2-thiophenecarboxamide
CID 1073867
N-(2-Hydroxyphenyl)-2-thiophenecarboxamide
CID 772142
5-ethyl-N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24245146
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 24231026
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
CID 26901199
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 31618408

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide (CID 39959659) is 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1C.
What is the InChIKey of 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is QGJVOVMJSCJRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-4-14-10(3)8-15(22-14)16(19)17-12-9-11(6-7-13(12)18)23(20,21)5-2/h6-9,18H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 39959659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).