3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O2S — CID 119790386

IUPAC3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(CS(C)=O)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-13(17(19)15-8-4-3-5-9-15)18(21)20-16-10-6-7-14(11-16)12-23(2)22;/h3-11,13,17H,12,19H2,1-2H3,(H,20,21);1H
InChIKeyJPPAQPLRJMXZHP-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.26
Rot. Bonds6

About 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119790386) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119790386
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(CS(C)=O)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-13(17(19)15-8-4-3-5-9-15)18(21)20-16-10-6-7-14(11-16)12-23(2)22;/h3-11,13,17H,12,19H2,1-2H3,(H,20,21);1H
InChIKeyJPPAQPLRJMXZHP-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
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3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
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3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
CID 119883855
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
(2R)-2-butylsulfanyl-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]propanamide
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3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
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CID 99840692

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119790386) is 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride is CC(C(=O)Nc1cccc(CS(C)=O)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is JPPAQPLRJMXZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-13(17(19)15-8-4-3-5-9-15)18(21)20-16-10-6-7-14(11-16)12-23(2)22;/h3-11,13,17H,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119790386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).