3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid

C12H16N2O5S2 — CID 102748081

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H16N2O5S2/c1-7-6-20-10(12(16)17)11(7)21(18,19)14(2)5-9(15)13-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXYQBSQFTYPVUEP-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.65
Rot. Bonds6

About 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748081) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748081
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H16N2O5S2/c1-7-6-20-10(12(16)17)11(7)21(18,19)14(2)5-9(15)13-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXYQBSQFTYPVUEP-UHFFFAOYSA-N
XLogP0.65
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
3-[(4-methoxy-4-oxobutyl)-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748387
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748866
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748081) is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is XYQBSQFTYPVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-7-6-20-10(12(16)17)11(7)21(18,19)14(2)5-9(15)13-8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).