2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid

C15H21NO3S — CID 79803321

IUPAC2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1cscc1C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-11-9-20-10-12(11)14(19)16(2)15(8-13(17)18)6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyOCCGYHUFYDMYNB-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 79803321) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID79803321
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1cscc1C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-11-9-20-10-12(11)14(19)16(2)15(8-13(17)18)6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyOCCGYHUFYDMYNB-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid (CID 79803321) is 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid is Cc1cscc1C(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is OCCGYHUFYDMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-9-20-10-12(11)14(19)16(2)15(8-13(17)18)6-4-3-5-7-15/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 295.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 79803321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).