N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide

C20H26N2OS — CID 86956589

IUPACN-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(N(C)C)ccc1CNC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C20H26N2OS/c1-15-12-18(22(3)4)11-10-17(15)13-21-20(23)16(2)14-24-19-8-6-5-7-9-19/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyOCYAMSAMFLJBEO-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.11
Rot. Bonds7

About N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide

N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86956589) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86956589
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(N(C)C)ccc1CNC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C20H26N2OS/c1-15-12-18(22(3)4)11-10-17(15)13-21-20(23)16(2)14-24-19-8-6-5-7-9-19/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyOCYAMSAMFLJBEO-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933345
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(2-hydroxypentyl)urea
CID 111414566
1-benzyl-3-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methylguanidine;hydroiodide
CID 111790113
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111414572

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86956589) is N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is Cc1cc(N(C)C)ccc1CNC(=O)C(C)CSc1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is OCYAMSAMFLJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15-12-18(22(3)4)11-10-17(15)13-21-20(23)16(2)14-24-19-8-6-5-7-9-19/h5-12,16H,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 342.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86956589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).