N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide

C14H16N2OS — CID 43601345

IUPACN-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C14H16N2OS/c1-2-15-9-11-5-3-4-6-13(11)16-14(17)12-7-8-18-10-12/h3-8,10,15H,2,9H2,1H3,(H,16,17)
InChIKeyKGVCOFOOAJFOLX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.11
Rot. Bonds5

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

N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide (PubChem CID 43601345) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
PubChem CID43601345
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C14H16N2OS/c1-2-15-9-11-5-3-4-6-13(11)16-14(17)12-7-8-18-10-12/h3-8,10,15H,2,9H2,1H3,(H,16,17)
InChIKeyKGVCOFOOAJFOLX-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide (CID 43601345) is N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide is CCNCc1ccccc1NC(=O)c1ccsc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is KGVCOFOOAJFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-15-9-11-5-3-4-6-13(11)16-14(17)12-7-8-18-10-12/h3-8,10,15H,2,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 43601345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).