3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

C12H18N2O5S2 — CID 43706036

IUPAC3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-4-5-13-11(15)8(3)14-21(18,19)9-6-7(2)10(20-9)12(16)17/h6,8,14H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyWCWURUOXOQISBL-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.95
Rot. Bonds7

About 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43706036) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43706036
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-4-5-13-11(15)8(3)14-21(18,19)9-6-7(2)10(20-9)12(16)17/h6,8,14H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyWCWURUOXOQISBL-UHFFFAOYSA-N
XLogP0.95
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421457
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (CID 43706036) is 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is CCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(C(=O)O)s1.
What is the InChIKey of 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WCWURUOXOQISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-4-5-13-11(15)8(3)14-21(18,19)9-6-7(2)10(20-9)12(16)17/h6,8,14H,4-5H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43706036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).