5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid

C12H20N2O4S2 — CID 43361342

IUPAC5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H20N2O4S2/c1-4-6-14(7-5-2)20(17,18)13-10-8-9(3)11(19-10)12(15)16/h8,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyCEURPUGKMVLHDX-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.53
Rot. Bonds8

About 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid

5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 43361342) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID43361342
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H20N2O4S2/c1-4-6-14(7-5-2)20(17,18)13-10-8-9(3)11(19-10)12(15)16/h8,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyCEURPUGKMVLHDX-UHFFFAOYSA-N
XLogP2.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60951024
3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
CID 63857124
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
3-methyl-5-(octanoylamino)thiophene-2-carboxylic acid
CID 43125189
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 29300535
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958
3-methyl-5-(3-propoxypropanoylamino)thiophene-2-carboxylic acid
CID 62686419
3-methyl-5-(2-pyridin-4-ylethylsulfonylamino)thiophene-2-carboxylic acid
CID 60892478
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
ethyl 5-(butylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406406

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid (CID 43361342) is 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid is CCCN(CCC)S(=O)(=O)Nc1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is CEURPUGKMVLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-4-6-14(7-5-2)20(17,18)13-10-8-9(3)11(19-10)12(15)16/h8,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43361342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).