2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid

C12H16N2O3S — CID 16773648

IUPAC2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C12H16N2O3S/c15-11(16)9-6-7-18-10(9)14-12(17)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyQCGSGOXPVVZLSZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.90
Rot. Bonds3

About 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid

2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 16773648) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID16773648
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C12H16N2O3S/c15-11(16)9-6-7-18-10(9)14-12(17)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyQCGSGOXPVVZLSZ-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid (CID 16773648) is 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is QCGSGOXPVVZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(16)9-6-7-18-10(9)14-12(17)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid?
2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16773648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).