5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid

C17H19NO4S — CID 119246078

IUPAC5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)o1
InChIInChI=1S/C17H19NO4S/c19-15(20)13-7-6-12(22-13)11-18-16(21)17(8-2-1-3-9-17)14-5-4-10-23-14/h4-7,10H,1-3,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyCPAIDFCXAJAKRA-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.56
Rot. Bonds5

About 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119246078) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119246078
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)o1
InChIInChI=1S/C17H19NO4S/c19-15(20)13-7-6-12(22-13)11-18-16(21)17(8-2-1-3-9-17)14-5-4-10-23-14/h4-7,10H,1-3,8-9,11H2,(H,18,21)(H,19,20)
InChIKeyCPAIDFCXAJAKRA-UHFFFAOYSA-N
XLogP3.56
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 99872633

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid (CID 119246078) is 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)o1.
What is the InChIKey of 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is CPAIDFCXAJAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-15(20)13-7-6-12(22-13)11-18-16(21)17(8-2-1-3-9-17)14-5-4-10-23-14/h4-7,10H,1-3,8-9,11H2,(H,18,21)(H,19,20).
What are the key properties of 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).