N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide

C18H14N2O3S2 — CID 24683485

IUPACN-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2sc3ccccc3c2s1)c1ccco1
InChIInChI=1S/C18H14N2O3S2/c21-17(12-5-3-9-23-12)19-7-8-20-18(22)15-10-14-16(25-15)11-4-1-2-6-13(11)24-14/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyNUNMCJQBYVAMHO-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide

N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide (PubChem CID 24683485) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
PubChem CID24683485
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC NameN-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2sc3ccccc3c2s1)c1ccco1
InChIInChI=1S/C18H14N2O3S2/c21-17(12-5-3-9-23-12)19-7-8-20-18(22)15-10-14-16(25-15)11-4-1-2-6-13(11)24-14/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyNUNMCJQBYVAMHO-UHFFFAOYSA-N
XLogP3.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-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

Related Compounds

N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
CID 33189454
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108538997
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256

Frequently Asked Questions

What is the IUPAC name of N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide (CID 24683485) is N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1cc2sc3ccccc3c2s1)c1ccco1.
What is the InChIKey of N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide?
The InChIKey is NUNMCJQBYVAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-17(12-5-3-9-23-12)19-7-8-20-18(22)15-10-14-16(25-15)11-4-1-2-6-13(11)24-14/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide?
N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 24683485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).