2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid

C12H19NO4S2 — CID 61063154

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C(=O)O)C(C)CC)s1
InChIInChI=1S/C12H19NO4S2/c1-4-8(3)11(12(14)15)13-19(16,17)10-7-6-9(5-2)18-10/h6-8,11,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUKFRNYMVJKWNJS-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.09
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 61063154) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
PubChem CID61063154
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C(=O)O)C(C)CC)s1
InChIInChI=1S/C12H19NO4S2/c1-4-8(3)11(12(14)15)13-19(16,17)10-7-6-9(5-2)18-10/h6-8,11,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUKFRNYMVJKWNJS-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871
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-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid (CID 61063154) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid is CCc1ccc(S(=O)(=O)NC(C(=O)O)C(C)CC)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is UKFRNYMVJKWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-4-8(3)11(12(14)15)13-19(16,17)10-7-6-9(5-2)18-10/h6-8,11,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 61063154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).