2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide

C14H15ClN2OS — CID 61469258

IUPAC2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccccc1C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-6-7-13(15)19-12)17-8-10-4-2-3-5-11(10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyBXYNTIYTMGXKPH-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.35
Rot. Bonds5

About 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide

2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide (PubChem CID 61469258) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
PubChem CID61469258
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccccc1C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-6-7-13(15)19-12)17-8-10-4-2-3-5-11(10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyBXYNTIYTMGXKPH-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
1-(5-chlorothiophen-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 61469476
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 103243980

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide (CID 61469258) is 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide is CC(NCc1ccccc1C(N)=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The InChIKey is BXYNTIYTMGXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(12-6-7-13(15)19-12)17-8-10-4-2-3-5-11(10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18).
What are the key properties of 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 61469258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).