3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide

C14H15ClN2OS — CID 43664726

IUPAC3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-5-6-13(15)19-12)17-8-10-3-2-4-11(7-10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyZVHFLNBQFFNWPK-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.35
Rot. Bonds5

About 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide

3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide (PubChem CID 43664726) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
PubChem CID43664726
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(12-5-6-13(15)19-12)17-8-10-3-2-4-11(7-10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyZVHFLNBQFFNWPK-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-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978996
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide (CID 43664726) is 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide is CC(NCc1cccc(C(N)=O)c1)c1ccc(Cl)s1.
What is the InChIKey of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
The InChIKey is ZVHFLNBQFFNWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(12-5-6-13(15)19-12)17-8-10-3-2-4-11(7-10)14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18).
What are the key properties of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide?
3-[[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 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).