3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide

C13H21N3O3S — CID 103421810

IUPAC3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCOCC2)c(OC)c1N
InChIInChI=1S/C13H21N3O3S/c1-3-15-12(17)11-9(14)10(18-2)13(20-11)16-5-4-7-19-8-6-16/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyHCFGNYFLYRSNDC-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.32
Rot. Bonds4

About 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide

3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide (PubChem CID 103421810) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
PubChem CID103421810
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCOCC2)c(OC)c1N
InChIInChI=1S/C13H21N3O3S/c1-3-15-12(17)11-9(14)10(18-2)13(20-11)16-5-4-7-19-8-6-16/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyHCFGNYFLYRSNDC-UHFFFAOYSA-N
XLogP1.32
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)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 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide (CID 103421810) is 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCOCC2)c(OC)c1N.
What is the InChIKey of 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
The InChIKey is HCFGNYFLYRSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-15-12(17)11-9(14)10(18-2)13(20-11)16-5-4-7-19-8-6-16/h3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide?
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103421810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).