2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid

C14H20N2O3S — CID 63114134

IUPAC2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-9-4-3-5-10(8-9)16(2)14(19)15-12-11(13(17)18)6-7-20-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyASAZQVTWLKDPPG-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.49
Rot. Bonds3

About 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114134) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114134
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-9-4-3-5-10(8-9)16(2)14(19)15-12-11(13(17)18)6-7-20-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyASAZQVTWLKDPPG-UHFFFAOYSA-N
XLogP3.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
3-bromo-N-methyl-N-(3-methylcyclohexyl)thiophene-2-carboxamide
CID 55028293
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917
2,3-difluoro-4-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 107935646
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114134) is 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid is CC1CCCC(N(C)C(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is ASAZQVTWLKDPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-4-3-5-10(8-9)16(2)14(19)15-12-11(13(17)18)6-7-20-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).