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

C14H19NO3S — CID 54921009

IUPAC4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C14H19NO3S/c1-8-7-12(19-9(8)2)13(16)15-11-5-3-10(4-6-11)14(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRNXHQOVTAXYQNG-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.74
Rot. Bonds3

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

4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 54921009) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID54921009
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C14H19NO3S/c1-8-7-12(19-9(8)2)13(16)15-11-5-3-10(4-6-11)14(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRNXHQOVTAXYQNG-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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Related Compounds

N-(3-aminocyclobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238929
(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid
CID 136583516
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759937
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 118432628
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 166270100

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 54921009) is 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2CCC(C(=O)O)CC2)sc1C.
What is the InChIKey of 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RNXHQOVTAXYQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8-7-12(19-9(8)2)13(16)15-11-5-3-10(4-6-11)14(17)18/h7,10-11H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-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 4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54921009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).