2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C15H24N2O3S — CID 28865553

IUPAC2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCC[NH+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-7-17(15(4,5)6)8-11(18)16-13-12(14(19)20)9(2)10(3)21-13/h7-8H2,1-6H3,(H,16,18)(H,19,20)
InChIKeyGSUAKXCJOPEKLN-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.37
Rot. Bonds5

About 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 28865553) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID28865553
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCC[NH+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-7-17(15(4,5)6)8-11(18)16-13-12(14(19)20)9(2)10(3)21-13/h7-8H2,1-6H3,(H,16,18)(H,19,20)
InChIKeyGSUAKXCJOPEKLN-UHFFFAOYSA-N
XLogP0.37
TPSA73.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 7128933
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033355
ethyl 2-[[2-(2-hydroxyethylamino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 652693
ethyl 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 24630656
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 829701
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
4-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]butanoic acid
CID 82033354
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 28865553) is 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is CC[NH+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C(C)(C)C.
What is the InChIKey of 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is GSUAKXCJOPEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-7-17(15(4,5)6)8-11(18)16-13-12(14(19)20)9(2)10(3)21-13/h7-8H2,1-6H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 28865553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).