2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide

C16H20N2OS — CID 106011853

IUPAC2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccccc2CCN)s1
InChIInChI=1S/C16H20N2OS/c1-2-13-7-8-14(20-13)11-18-16(19)15-6-4-3-5-12(15)9-10-17/h3-8H,2,9-11,17H2,1H3,(H,18,19)
InChIKeyAJBHOCUPLSRSKF-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide

2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide (PubChem CID 106011853) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
PubChem CID106011853
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccccc2CCN)s1
InChIInChI=1S/C16H20N2OS/c1-2-13-7-8-14(20-13)11-18-16(19)15-6-4-3-5-12(15)9-10-17/h3-8H,2,9-11,17H2,1H3,(H,18,19)
InChIKeyAJBHOCUPLSRSKF-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide (CID 106011853) is 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide is CCc1ccc(CNC(=O)c2ccccc2CCN)s1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The InChIKey is AJBHOCUPLSRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-13-7-8-14(20-13)11-18-16(19)15-6-4-3-5-12(15)9-10-17/h3-8H,2,9-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 106011853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).