2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide

C16H20N2OS — CID 104547749

IUPAC2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCc1ccsc1
InChIInChI=1S/C16H20N2OS/c1-17-9-7-14-4-2-3-5-15(14)16(19)18-10-6-13-8-11-20-12-13/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyNLKIQNJSGTULAZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide

2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide (PubChem CID 104547749) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
PubChem CID104547749
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCc1ccsc1
InChIInChI=1S/C16H20N2OS/c1-17-9-7-14-4-2-3-5-15(14)16(19)18-10-6-13-8-11-20-12-13/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyNLKIQNJSGTULAZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide (CID 104547749) is 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide is CNCCc1ccccc1C(=O)NCCc1ccsc1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is NLKIQNJSGTULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-17-9-7-14-4-2-3-5-15(14)16(19)18-10-6-13-8-11-20-12-13/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide?
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 104547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).