4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid

C11H15NO3S2 — CID 114914709

IUPAC4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)CSC(C)C
InChIInChI=1S/C11H15NO3S2/c1-6(2)16-5-8(13)12-9-7(3)4-17-10(9)11(14)15/h4,6H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySDUVCQWFFZPPEC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.83
Rot. Bonds5

About 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid

4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid (PubChem CID 114914709) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
PubChem CID114914709
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)CSC(C)C
InChIInChI=1S/C11H15NO3S2/c1-6(2)16-5-8(13)12-9-7(3)4-17-10(9)11(14)15/h4,6H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySDUVCQWFFZPPEC-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-butylsulfanylacetyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114915023
3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914681
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797
4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914845
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915102
3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914665
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914874
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914813
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid (CID 114914709) is 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)CSC(C)C.
What is the InChIKey of 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid?
The InChIKey is SDUVCQWFFZPPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-6(2)16-5-8(13)12-9-7(3)4-17-10(9)11(14)15/h4,6H,5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid?
4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 114914709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).