5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid

C14H15NO4S2 — CID 81354446

IUPAC5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO4S2/c1-9-5-3-4-6-12(9)10(2)15-21(18,19)13-7-11(8-20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYBPVTRQGONWMNE-JTQLQIEISA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 81354446) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID81354446
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C14H15NO4S2/c1-9-5-3-4-6-12(9)10(2)15-21(18,19)13-7-11(8-20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYBPVTRQGONWMNE-JTQLQIEISA-N
XLogP2.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
CID 29274956
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (CID 81354446) is 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is Cc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is YBPVTRQGONWMNE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-5-3-4-6-12(9)10(2)15-21(18,19)13-7-11(8-20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 81354446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).