3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid

C12H16N2O5S2 — CID 102749291

IUPAC3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N2O5S2/c1-7-6-20-9(12(16)17)10(7)21(18,19)14-5-4-13-11(15)8-2-3-8/h6,8,14H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyHVHOZTHXACUJFE-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.56
Rot. Bonds7

About 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102749291) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102749291
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N2O5S2/c1-7-6-20-9(12(16)17)10(7)21(18,19)14-5-4-13-11(15)8-2-3-8/h6,8,14H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyHVHOZTHXACUJFE-UHFFFAOYSA-N
XLogP0.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
4-methyl-3-(thian-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102749042
4-methyl-3-(3-methylsulfinylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 102749301
4-methyl-3-(2-prop-2-ynylsulfanylethylsulfamoyl)thiophene-2-carboxylic acid
CID 114187437
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102749291) is 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCCNC(=O)C1CC1.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is HVHOZTHXACUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-7-6-20-9(12(16)17)10(7)21(18,19)14-5-4-13-11(15)8-2-3-8/h6,8,14H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102749291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).