N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride

C18H23ClN2OS — CID 120831508

IUPACN-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
SMILESCNC(C)CNC(=O)C(Sc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-14(19-2)13-20-18(21)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h3-12,14,17,19H,13H2,1-2H3,(H,20,21);1H
InChIKeyHUBKBTWSQCGOIN-UHFFFAOYSA-N
MW350.92 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride

N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride (PubChem CID 120831508) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
PubChem CID120831508
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC NameN-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
SMILESCNC(C)CNC(=O)C(Sc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-14(19-2)13-20-18(21)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h3-12,14,17,19H,13H2,1-2H3,(H,20,21);1H
InChIKeyHUBKBTWSQCGOIN-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
propan-2-yl (2S)-2-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]propanoate
CID 95781063
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 60532999
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
N-[(2R)-2-(ethylamino)propyl]-2-(2-fluorophenyl)sulfanyl-2-phenylacetamide;hydrochloride
CID 120653440
(2S)-N-[(2S)-heptan-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 7026339

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride (CID 120831508) is N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride is CNC(C)CNC(=O)C(Sc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The InChIKey is HUBKBTWSQCGOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-14(19-2)13-20-18(21)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h3-12,14,17,19H,13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120831508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).