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

C12H16N2O4S — CID 43356725

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-6-7(2)19-11(10(6)12(17)18)13-9(16)5-14(4)8(3)15/h5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyULZGQNIQCNGKBX-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.48
Rot. Bonds4

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

2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 43356725) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID43356725
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-6-7(2)19-11(10(6)12(17)18)13-9(16)5-14(4)8(3)15/h5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyULZGQNIQCNGKBX-UHFFFAOYSA-N
XLogP1.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114662
2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28865616
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
4,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 63858985
3-[[2-[[2-(dimethylamino)acetyl]amino]-4,5-dimethylthiophene-3-carbonyl]-methylamino]propanoic acid
CID 39182707
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114088
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114330
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
CID 28778288
2-[[butan-2-yl(ethyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114046

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 43356725) is 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is CC(=O)N(C)CC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is ULZGQNIQCNGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-6-7(2)19-11(10(6)12(17)18)13-9(16)5-14(4)8(3)15/h5H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 43356725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).