4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid

C11H17NO4S2 — CID 106003812

IUPAC4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
SMILESCCc1ccc(CNS(=O)(=O)CCCC(=O)O)s1
InChIInChI=1S/C11H17NO4S2/c1-2-9-5-6-10(17-9)8-12-18(15,16)7-3-4-11(13)14/h5-6,12H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyWZOZLXGGMBYMKZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds8

About 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid

4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid (PubChem CID 106003812) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
PubChem CID106003812
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
SMILESCCc1ccc(CNS(=O)(=O)CCCC(=O)O)s1
InChIInChI=1S/C11H17NO4S2/c1-2-9-5-6-10(17-9)8-12-18(15,16)7-3-4-11(13)14/h5-6,12H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyWZOZLXGGMBYMKZ-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106013665
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106005647
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
CID 82731751
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid
CID 61206867
propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate
CID 58942892
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 106005623
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid (CID 106003812) is 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid is CCc1ccc(CNS(=O)(=O)CCCC(=O)O)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid?
The InChIKey is WZOZLXGGMBYMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-2-9-5-6-10(17-9)8-12-18(15,16)7-3-4-11(13)14/h5-6,12H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid?
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 106003812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).