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

C19H24N2OS — CID 86935244

IUPACN-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C19H24N2OS/c1-15(14-23-18-10-5-4-6-11-18)19(22)20-13-16-8-7-9-17(12-16)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyJJCPAYXMSDSSJO-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.80
Rot. Bonds7

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

N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86935244) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86935244
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C19H24N2OS/c1-15(14-23-18-10-5-4-6-11-18)19(22)20-13-16-8-7-9-17(12-16)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyJJCPAYXMSDSSJO-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
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-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933345
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 60608615
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
3-[[3-(dimethylamino)phenyl]methyl]-1-methyl-1-[(2S)-4-methylpentan-2-yl]urea
CID 52505037
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
2-acetamido-N-benzyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4544086

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86935244) is N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is JJCPAYXMSDSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15(14-23-18-10-5-4-6-11-18)19(22)20-13-16-8-7-9-17(12-16)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86935244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).