5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide

C14H20N2O2S — CID 18135456

IUPAC5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-9-15-14(18)11-7-8-12(19-11)16-13(17)10-5-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZSQIWVPKIRRAPK-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.02
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide (PubChem CID 18135456) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide
PubChem CID18135456
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-9-15-14(18)11-7-8-12(19-11)16-13(17)10-5-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZSQIWVPKIRRAPK-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide (CID 18135456) is 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide is CCCCCNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide?
The InChIKey is ZSQIWVPKIRRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-3-4-9-15-14(18)11-7-8-12(19-11)16-13(17)10-5-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 18135456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).