5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide

C15H18N2O2S — CID 79614000

IUPAC5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
SMILESCCCOc1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-6-19-13-5-3-4-12(8-13)17-9-14-7-11(10-20-14)15(16)18/h3-5,7-8,10,17H,2,6,9H2,1H3,(H2,16,18)
InChIKeySDLFFBNDLLVVMW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.25
Rot. Bonds7

About 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide

5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614000) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
PubChem CID79614000
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
SMILESCCCOc1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-6-19-13-5-3-4-12(8-13)17-9-14-7-11(10-20-14)15(16)18/h3-5,7-8,10,17H,2,6,9H2,1H3,(H2,16,18)
InChIKeySDLFFBNDLLVVMW-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-propoxyanilino)methyl]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

5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79612277
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
3-propoxybenzamide
CID 22311435
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
N-[(5-bromothiophen-2-yl)methyl]-3-propoxyaniline
CID 43693708
N-[(4-chlorothiophen-2-yl)methyl]-3-ethoxyaniline
CID 79420606

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide (CID 79614000) is 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide is CCCOc1cccc(NCc2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide?
The InChIKey is SDLFFBNDLLVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-6-19-13-5-3-4-12(8-13)17-9-14-7-11(10-20-14)15(16)18/h3-5,7-8,10,17H,2,6,9H2,1H3,(H2,16,18).
What are the key properties of 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide?
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).