2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

C13H20Cl2N2OS — CID 120653854

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-3-15-10(2)8-16-13(17)9-18-12-6-4-11(14)5-7-12;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyZOBLVCLPKLGLIX-HNCPQSOCSA-N
MW323.29 g/mol
LogP2.97
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (PubChem CID 120653854) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
PubChem CID120653854
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-3-15-10(2)8-16-13(17)9-18-12-6-4-11(14)5-7-12;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyZOBLVCLPKLGLIX-HNCPQSOCSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7816591
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (CID 120653854) is 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is CCN[C@H](C)CNC(=O)CSc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The InChIKey is ZOBLVCLPKLGLIX-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19ClN2OS.ClH/c1-3-15-10(2)8-16-13(17)9-18-12-6-4-11(14)5-7-12;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride has a molecular weight of 323.29 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120653854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).