5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid

C15H19NO3S — CID 119186619

IUPAC5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CC2C2CCCCC2)s1
InChIInChI=1S/C15H19NO3S/c17-14(12-6-7-13(20-12)15(18)19)16-11-8-10(11)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2,(H,16,17)(H,18,19)
InChIKeyIZPNOLNVTZNWKP-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.14
Rot. Bonds4

About 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid

5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 119186619) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID119186619
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CC2C2CCCCC2)s1
InChIInChI=1S/C15H19NO3S/c17-14(12-6-7-13(20-12)15(18)19)16-11-8-10(11)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2,(H,16,17)(H,18,19)
InChIKeyIZPNOLNVTZNWKP-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid (CID 119186619) is 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NC2CC2C2CCCCC2)s1.
What is the InChIKey of 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IZPNOLNVTZNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-14(12-6-7-13(20-12)15(18)19)16-11-8-10(11)9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).