5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid

C12H18N2O5S2 — CID 61028167

IUPAC5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-4-14(5-2)10(15)8-13(3)21(18,19)11-7-6-9(20-11)12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyXFUSIGSSAFLNBF-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.94
Rot. Bonds7

About 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid

5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61028167) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61028167
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-4-14(5-2)10(15)8-13(3)21(18,19)11-7-6-9(20-11)12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyXFUSIGSSAFLNBF-UHFFFAOYSA-N
XLogP0.94
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907618
5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026506
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950091
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63223323
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 55372067
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 55329846
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid (CID 61028167) is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XFUSIGSSAFLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-4-14(5-2)10(15)8-13(3)21(18,19)11-7-6-9(20-11)12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61028167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).