5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide

C14H20N2O3S — CID 18138199

IUPAC5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-19-9-3-8-15-14(18)11-6-7-12(20-11)16-13(17)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGHMGTFLUGOOCNK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.25
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide (PubChem CID 18138199) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide
PubChem CID18138199
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-19-9-3-8-15-14(18)11-6-7-12(20-11)16-13(17)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGHMGTFLUGOOCNK-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide (CID 18138199) is 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide is CCOCCCNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The InChIKey is GHMGTFLUGOOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-19-9-3-8-15-14(18)11-6-7-12(20-11)16-13(17)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(3-ethoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 18138199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).