2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

C13H20N2O3S — CID 63113828

IUPAC2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-8(2)4-5-9(3)14-13(18)15-11-10(12(16)17)6-7-19-11/h6-9H,4-5H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyFLZZPKMXDXUVMJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.39
Rot. Bonds6

About 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63113828) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63113828
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-8(2)4-5-9(3)14-13(18)15-11-10(12(16)17)6-7-19-11/h6-9H,4-5H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyFLZZPKMXDXUVMJ-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114786
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoylamino]thiophene-3-carboxylic acid
CID 63114207
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
2-[[(1R)-1-(4-methylphenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81349543
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 63113828) is 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is CC(C)CCC(C)NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is FLZZPKMXDXUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8(2)4-5-9(3)14-13(18)15-11-10(12(16)17)6-7-19-11/h6-9H,4-5H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63113828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).