2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H19NO3S — CID 82759937

IUPAC2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1C
InChIInChI=1S/C14H19NO3S/c1-8-7-10(19-9(8)2)12(16)15-11-5-4-6-14(11,3)13(17)18/h7,11H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXDMLUSKVLRSGMC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759937) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759937
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1C
InChIInChI=1S/C14H19NO3S/c1-8-7-10(19-9(8)2)12(16)15-11-5-4-6-14(11,3)13(17)18/h7,11H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXDMLUSKVLRSGMC-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759937) is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC2(C)C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is XDMLUSKVLRSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8-7-10(19-9(8)2)12(16)15-11-5-4-6-14(11,3)13(17)18/h7,11H,4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).