4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C15H17NO5S2 — CID 138032189

IUPAC4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C)cc(CCNS(=O)(=O)c2csc(C(=O)O)c2)c1
InChIInChI=1S/C15H17NO5S2/c1-10-5-11(7-12(6-10)21-2)3-4-16-23(19,20)13-8-14(15(17)18)22-9-13/h5-9,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyIAVDKSLFMFPVQG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.28
Rot. Bonds7

About 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 138032189) has the molecular formula C15H17NO5S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID138032189
Molecular FormulaC15H17NO5S2
Molecular Weight355.44 g/mol
Exact Mass355.05
IUPAC Name4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C)cc(CCNS(=O)(=O)c2csc(C(=O)O)c2)c1
InChIInChI=1S/C15H17NO5S2/c1-10-5-11(7-12(6-10)21-2)3-4-16-23(19,20)13-8-14(15(17)18)22-9-13/h5-9,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyIAVDKSLFMFPVQG-UHFFFAOYSA-N
XLogP2.28
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
CID 120583848
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 138032189) is 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is COc1cc(C)cc(CCNS(=O)(=O)c2csc(C(=O)O)c2)c1.
What is the InChIKey of 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is IAVDKSLFMFPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S2/c1-10-5-11(7-12(6-10)21-2)3-4-16-23(19,20)13-8-14(15(17)18)22-9-13/h5-9,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138032189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).