5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H15NO4S3 — CID 104654476

IUPAC5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCc1ccc(CNS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C13H15NO4S3/c1-3-9-4-5-10(19-9)7-14-21(17,18)11-6-8(2)12(20-11)13(15)16/h4-6,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyWECZBFPMZOTJFY-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.86
Rot. Bonds6

About 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 104654476) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID104654476
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCc1ccc(CNS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C13H15NO4S3/c1-3-9-4-5-10(19-9)7-14-21(17,18)11-6-8(2)12(20-11)13(15)16/h4-6,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyWECZBFPMZOTJFY-UHFFFAOYSA-N
XLogP2.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201
3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61003991
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 104654476) is 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is CCc1ccc(CNS(=O)(=O)c2cc(C)c(C(=O)O)s2)s1.
What is the InChIKey of 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is WECZBFPMZOTJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-3-9-4-5-10(19-9)7-14-21(17,18)11-6-8(2)12(20-11)13(15)16/h4-6,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 345.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 104654476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).