N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride

C11H16Cl2N2OS — CID 119384225

IUPACN-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)NCCN.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-2-16-10-4-3-8(12)7-9(10)11(15)14-6-5-13;/h3-4,7H,2,5-6,13H2,1H3,(H,14,15);1H
InChIKeyCJCPNZZGFADTNR-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.56
Rot. Bonds5

About N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride

N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride (PubChem CID 119384225) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
PubChem CID119384225
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC NameN-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)NCCN.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-2-16-10-4-3-8(12)7-9(10)11(15)14-6-5-13;/h3-4,7H,2,5-6,13H2,1H3,(H,14,15);1H
InChIKeyCJCPNZZGFADTNR-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 120506420
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
4-[(4-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 120684450
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfanylbenzamide
CID 71974519
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride (CID 119384225) is N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride is CCSc1ccc(Cl)cc1C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The InChIKey is CJCPNZZGFADTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c1-2-16-10-4-3-8(12)7-9(10)11(15)14-6-5-13;/h3-4,7H,2,5-6,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119384225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).