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

C10H14N2O5S2 — CID 61072627

IUPAC4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)s1
InChIInChI=1S/C10H14N2O5S2/c1-2-6-3-4-9(18-6)19(16,17)12-7(10(14)15)5-8(11)13/h3-4,7,12H,2,5H2,1H3,(H2,11,13)(H,14,15)
InChIKeyFVKKYCDVYWLTEP-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.08
Rot. Bonds7

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

4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 61072627) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
PubChem CID61072627
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)s1
InChIInChI=1S/C10H14N2O5S2/c1-2-6-3-4-9(18-6)19(16,17)12-7(10(14)15)5-8(11)13/h3-4,7,12H,2,5H2,1H3,(H2,11,13)(H,14,15)
InChIKeyFVKKYCDVYWLTEP-UHFFFAOYSA-N
XLogP-0.08
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
CID 62093885
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid (CID 61072627) is 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid is CCc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)s1.
What is the InChIKey of 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is FVKKYCDVYWLTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-2-6-3-4-9(18-6)19(16,17)12-7(10(14)15)5-8(11)13/h3-4,7,12H,2,5H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid?
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 306.37 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61072627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).