5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride

C15H18Cl2N2OS — CID 120618102

IUPAC5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-3-18(9-12-6-7-14(16)20-12)15(19)13-8-11(17)5-4-10(13)2;/h4-8H,3,9,17H2,1-2H3;1H
InChIKeyWUTQWRAXMLCWNV-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.38
Rot. Bonds4

About 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride (PubChem CID 120618102) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
PubChem CID120618102
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-3-18(9-12-6-7-14(16)20-12)15(19)13-8-11(17)5-4-10(13)2;/h4-8H,3,9,17H2,1-2H3;1H
InChIKeyWUTQWRAXMLCWNV-UHFFFAOYSA-N
XLogP4.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
CID 24655700
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylbenzamide
CID 65311698
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
CID 78788909
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
CID 79757915
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride (CID 120618102) is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride?
The InChIKey is WUTQWRAXMLCWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS.ClH/c1-3-18(9-12-6-7-14(16)20-12)15(19)13-8-11(17)5-4-10(13)2;/h4-8H,3,9,17H2,1-2H3;1H.
What are the key properties of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride?
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride has a molecular weight of 345.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120618102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).