4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

C12H18N2O5S2 — CID 61073022

IUPAC4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H18N2O5S2/c1-4-14(5-2)11(15)8(3)13-21(18,19)9-6-10(12(16)17)20-7-9/h6-8,13H,4-5H2,1-3H3,(H,16,17)
InChIKeyIQNVPFAHSRKQBK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.98
Rot. Bonds7

About 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073022) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073022
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H18N2O5S2/c1-4-14(5-2)11(15)8(3)13-21(18,19)9-6-10(12(16)17)20-7-9/h6-8,13H,4-5H2,1-3H3,(H,16,17)
InChIKeyIQNVPFAHSRKQBK-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(1r)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883542
3-{[(1s)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883554
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618150
4-(4,4,4-Trifluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114129755
4-[3-[Methyl(2,2,2-trifluoroethyl)amino]propylsulfamoyl]thiophene-2-carboxylic acid
CID 121840254
4-[[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 146106301
4-(1,1-Difluorobutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 167919808
3-[4-(Methanesulfonamido)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 25673481
4-(N,N-Diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
3-[[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 168452489
4-(Ethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072475
(3R)-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pyrrolidine-1-carboxylic acid
CID 68796593

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (CID 61073022) is 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is CCN(CC)C(=O)C(C)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is IQNVPFAHSRKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-4-14(5-2)11(15)8(3)13-21(18,19)9-6-10(12(16)17)20-7-9/h6-8,13H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).