2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid

C14H15NO4S2 — CID 81389151

IUPAC2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(CC(=O)O)cc1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-10(13-3-2-8-20-13)15-21(18,19)12-6-4-11(5-7-12)9-14(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyIRVJSIGFHKHAMU-SNVBAGLBSA-N
MW325.41 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid

2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid (PubChem CID 81389151) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
PubChem CID81389151
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(CC(=O)O)cc1)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-10(13-3-2-8-20-13)15-21(18,19)12-6-4-11(5-7-12)9-14(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyIRVJSIGFHKHAMU-SNVBAGLBSA-N
XLogP2.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585
2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
3-[(4-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid
CID 3655458
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
CID 67841348

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid (CID 81389151) is 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid is C[C@@H](NS(=O)(=O)c1ccc(CC(=O)O)cc1)c1cccs1.
What is the InChIKey of 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is IRVJSIGFHKHAMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10(13-3-2-8-20-13)15-21(18,19)12-6-4-11(5-7-12)9-14(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid?
2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 81389151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).