(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide

C19H24N2OS — CID 9305174

IUPAC(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2OS/c1-14-5-11-18(12-6-14)23-15(2)19(22)20-13-16-7-9-17(10-8-16)21(3)4/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyKQJMZLPNCSJYDG-OAHLLOKOSA-N
MW328.48 g/mol
LogP3.86
Rot. Bonds6

About (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 9305174) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID9305174
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2OS/c1-14-5-11-18(12-6-14)23-15(2)19(22)20-13-16-7-9-17(10-8-16)21(3)4/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyKQJMZLPNCSJYDG-OAHLLOKOSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.86
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

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
N,N-dimethyl-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]furan-2-carboxamide
CID 131938378
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 9304932
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133206073
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9142237
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 9305174) is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is KQJMZLPNCSJYDG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-5-11-18(12-6-14)23-15(2)19(22)20-13-16-7-9-17(10-8-16)21(3)4/h5-12,15H,13H2,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 9305174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).