2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid

C10H15NO5S2 — CID 54947368

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CCO)C(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-2-7-3-4-9(17-7)18(15,16)11-8(5-6-12)10(13)14/h3-4,8,11-12H,2,5-6H2,1H3,(H,13,14)
InChIKeyWSWMRFGOLHONQJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.42
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 54947368) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID54947368
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CCO)C(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-2-7-3-4-9(17-7)18(15,16)11-8(5-6-12)10(13)14/h3-4,8,11-12H,2,5-6H2,1H3,(H,13,14)
InChIKeyWSWMRFGOLHONQJ-UHFFFAOYSA-N
XLogP0.42
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid (CID 54947368) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid is CCc1ccc(S(=O)(=O)NC(CCO)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is WSWMRFGOLHONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-2-7-3-4-9(17-7)18(15,16)11-8(5-6-12)10(13)14/h3-4,8,11-12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 293.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 54947368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).