N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide

C14H15ClN2OS — CID 106049286

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-16-12-5-3-2-4-11(12)14(18)17-9-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyAAVMIIIFVKJWFZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide (PubChem CID 106049286) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
PubChem CID106049286
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-16-12-5-3-2-4-11(12)14(18)17-9-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyAAVMIIIFVKJWFZ-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid
CID 106039956
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106050385
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 106050398
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103800075
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 103882523

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide (CID 106049286) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide?
The InChIKey is AAVMIIIFVKJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-16-12-5-3-2-4-11(12)14(18)17-9-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 106049286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).