N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride

C12H18Cl2N2OS — CID 120506420

IUPACN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-3-17-11-5-4-9(13)6-10(11)12(16)15-8(2)7-14;/h4-6,8H,3,7,14H2,1-2H3,(H,15,16);1H/t8-;/m0./s1
InChIKeyQMAPPUXACIXYMA-QRPNPIFTSA-N
MW309.26 g/mol
LogP2.95
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride (PubChem CID 120506420) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
PubChem CID120506420
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-3-17-11-5-4-9(13)6-10(11)12(16)15-8(2)7-14;/h4-6,8H,3,7,14H2,1-2H3,(H,15,16);1H/t8-;/m0./s1
InChIKeyQMAPPUXACIXYMA-QRPNPIFTSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
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CID 119384225
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide
CID 97006273
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
N-[(2S)-1-aminopropan-2-yl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 120505660

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride (CID 120506420) is N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride is CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
The InChIKey is QMAPPUXACIXYMA-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-3-17-11-5-4-9(13)6-10(11)12(16)15-8(2)7-14;/h4-6,8H,3,7,14H2,1-2H3,(H,15,16);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 120506420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).