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

C18H22N2OS — CID 86933345

IUPACN-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N2OS/c1-14(13-22-17-7-5-4-6-8-17)18(21)19-15-9-11-16(12-10-15)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyPYZJQXBCZVTEOU-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.12
Rot. Bonds6

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

N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933345) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933345
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H22N2OS/c1-14(13-22-17-7-5-4-6-8-17)18(21)19-15-9-11-16(12-10-15)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyPYZJQXBCZVTEOU-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-methyl-3-phenylsulfanylpropanoyl)amino]benzoate
CID 86933350
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate
CID 55315696
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
(2R)-2-amino-3-benzylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 22805618
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933371
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86933345) is N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is PYZJQXBCZVTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14(13-22-17-7-5-4-6-8-17)18(21)19-15-9-11-16(12-10-15)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).