N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide

C12H12N2O2S2 — CID 101004058

IUPACN-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H12N2O2S2/c15-11(9-1-5-17-7-9)13-3-4-14-12(16)10-2-6-18-8-10/h1-2,5-8H,3-4H2,(H,13,15)(H,14,16)
InChIKeyWNEZTKZOMIUKSY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide

N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide (PubChem CID 101004058) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
PubChem CID101004058
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccsc1)c1ccsc1
InChIInChI=1S/C12H12N2O2S2/c15-11(9-1-5-17-7-9)13-3-4-14-12(16)10-2-6-18-8-10/h1-2,5-8H,3-4H2,(H,13,15)(H,14,16)
InChIKeyWNEZTKZOMIUKSY-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-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-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide (CID 101004058) is N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide is O=C(NCCNC(=O)c1ccsc1)c1ccsc1.
What is the InChIKey of N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide?
The InChIKey is WNEZTKZOMIUKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-11(9-1-5-17-7-9)13-3-4-14-12(16)10-2-6-18-8-10/h1-2,5-8H,3-4H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide?
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 101004058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).