5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid

C14H19NO3S — CID 115281184

IUPAC5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CCN(C(=O)c1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C14H19NO3S/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMUURWJYNFSJEFU-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.10
Rot. Bonds6

About 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid

5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 115281184) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID115281184
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CCN(C(=O)c1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C14H19NO3S/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMUURWJYNFSJEFU-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid (CID 115281184) is 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid is CC(C)CCN(C(=O)c1ccc(C(=O)O)s1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MUURWJYNFSJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9(2)7-8-15(10-3-4-10)13(16)11-5-6-12(19-11)14(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid?
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115281184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).