2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

C15H24N2O3S — CID 28865616

IUPAC2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCCCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-5-7-8-17(6-2)9-12(18)16-14-13(15(19)20)10(3)11(4)21-14/h5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyRTUXTJGMPNCZFX-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.12
Rot. Bonds8

About 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 28865616) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID28865616
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCCCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-5-7-8-17(6-2)9-12(18)16-14-13(15(19)20)10(3)11(4)21-14/h5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyRTUXTJGMPNCZFX-UHFFFAOYSA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 28865757
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
diethyl 5-[[2-[butyl(ethyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7673659
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 18474073
2-[[butan-2-yl(ethyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114046
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114662
ethyl 2-[[2-[butyl(ethyl)amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2792070
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111825521
2-(2-butoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114436

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 28865616) is 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is CCCCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is RTUXTJGMPNCZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-7-8-17(6-2)9-12(18)16-14-13(15(19)20)10(3)11(4)21-14/h5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 28865616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).