2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid

C14H15NO4S2 — CID 43079020

IUPAC2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-10(11-5-3-2-4-6-11)15-21(18,19)14-8-7-12(20-14)9-13(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)
InChIKeyMCVGYGMWGAYGCB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.41
Rot. Bonds6

About 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 43079020) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID43079020
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-10(11-5-3-2-4-6-11)15-21(18,19)14-8-7-12(20-14)9-13(16)17/h2-8,10,15H,9H2,1H3,(H,16,17)
InChIKeyMCVGYGMWGAYGCB-UHFFFAOYSA-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

5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 45298894
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218355

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid (CID 43079020) is 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid is CC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccccc1.
What is the InChIKey of 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is MCVGYGMWGAYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10(11-5-3-2-4-6-11)15-21(18,19)14-8-7-12(20-14)9-13(16)17/h2-8,10,15H,9H2,1H3,(H,16,17).
What are the key properties of 2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]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-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 43079020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).