5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid

C13H14N2O4S2 — CID 61027898

IUPAC5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-15(9-6-10-4-7-14-8-5-10)21(18,19)12-3-2-11(20-12)13(16)17/h2-5,7-8H,6,9H2,1H3,(H,16,17)
InChIKeyOMXGQJVJIRUSSV-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.70
Rot. Bonds6

About 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid

5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027898) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027898
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-15(9-6-10-4-7-14-8-5-10)21(18,19)12-3-2-11(20-12)13(16)17/h2-5,7-8H,6,9H2,1H3,(H,16,17)
InChIKeyOMXGQJVJIRUSSV-UHFFFAOYSA-N
XLogP1.70
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.70
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
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907618
5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026506
3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61456214
2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
CID 146130218
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109059028

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61027898) is 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OMXGQJVJIRUSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-15(9-6-10-4-7-14-8-5-10)21(18,19)12-3-2-11(20-12)13(16)17/h2-5,7-8H,6,9H2,1H3,(H,16,17).
What are the key properties of 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).