5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid

C12H18N2O5S2 — CID 63329047

IUPAC5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H18N2O5S2/c1-4-5-14(7-11(15)13-3)21(18,19)10-6-9(12(16)17)20-8(10)2/h6H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyREXRUQUIBXDPRE-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.90
Rot. Bonds7

About 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63329047) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID63329047
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H18N2O5S2/c1-4-5-14(7-11(15)13-3)21(18,19)10-6-9(12(16)17)20-8(10)2/h6H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyREXRUQUIBXDPRE-UHFFFAOYSA-N
XLogP0.90
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328820
2-[(4-amino-2-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 61126807
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid (CID 63329047) is 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid is CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is REXRUQUIBXDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-4-5-14(7-11(15)13-3)21(18,19)10-6-9(12(16)17)20-8(10)2/h6H,4-5,7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63329047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).