N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide

C13H14N2OS — CID 62950632

IUPACN-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESNCc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C13H14N2OS/c14-7-10-3-1-2-4-11(10)8-15-13(16)12-5-6-17-9-12/h1-6,9H,7-8,14H2,(H,15,16)
InChIKeyPICHENALDJPDGZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.14
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 62950632) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID62950632
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESNCc1ccccc1CNC(=O)c1ccsc1
InChIInChI=1S/C13H14N2OS/c14-7-10-3-1-2-4-11(10)8-15-13(16)12-5-6-17-9-12/h1-6,9H,7-8,14H2,(H,15,16)
InChIKeyPICHENALDJPDGZ-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)phenyl]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

N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 31942147
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 62952156
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide (CID 62950632) is N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide is NCc1ccccc1CNC(=O)c1ccsc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is PICHENALDJPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-7-10-3-1-2-4-11(10)8-15-13(16)12-5-6-17-9-12/h1-6,9H,7-8,14H2,(H,15,16).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 62950632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).