N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H27ClN2O2S — CID 119776281

IUPACN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)CSc1ccccc1OC.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12(9-18-16(19)13(2)10-17-3)11-21-15-8-6-5-7-14(15)20-4;/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19);1H
InChIKeyIMKZGPHJXFNADS-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119776281) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119776281
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)CSc1ccccc1OC.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12(9-18-16(19)13(2)10-17-3)11-21-15-8-6-5-7-14(15)20-4;/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19);1H
InChIKeyIMKZGPHJXFNADS-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
CID 119319309
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
1-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]cyclopentane-1-carboxamide
CID 119319307
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
3-[[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]amino]propanoic acid
CID 154802130
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776295
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
1-benzyl-3-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylguanidine
CID 110954524
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
CID 119776294

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119776281) is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)CSc1ccccc1OC.Cl.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is IMKZGPHJXFNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-12(9-18-16(19)13(2)10-17-3)11-21-15-8-6-5-7-14(15)20-4;/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119776281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).