3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide

C15H23N3O2S — CID 103428671

IUPAC3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
SMILESCCOCCNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H23N3O2S/c1-2-20-8-7-17-15-11(9-3-4-9)12(16)13(21-15)14(19)18-10-5-6-10/h9-10,17H,2-8,16H2,1H3,(H,18,19)
InChIKeyOMLXJAMSRUTNIM-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.55
Rot. Bonds8

About 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide

3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide (PubChem CID 103428671) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
PubChem CID103428671
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
SMILESCCOCCNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H23N3O2S/c1-2-20-8-7-17-15-11(9-3-4-9)12(16)13(21-15)14(19)18-10-5-6-10/h9-10,17H,2-8,16H2,1H3,(H,18,19)
InChIKeyOMLXJAMSRUTNIM-UHFFFAOYSA-N
XLogP2.55
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide (CID 103428671) is 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide is CCOCCNc1sc(C(=O)NC2CC2)c(N)c1C1CC1.
What is the InChIKey of 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide?
The InChIKey is OMLXJAMSRUTNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-20-8-7-17-15-11(9-3-4-9)12(16)13(21-15)14(19)18-10-5-6-10/h9-10,17H,2-8,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide?
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103428671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).