N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide

C21H28N2OS — CID 18167081

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(CSC)cc1)c1ccccc1
InChIInChI=1S/C21H28N2OS/c1-4-23(5-2)20(18-9-7-6-8-10-18)15-22-21(24)19-13-11-17(12-14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyPNRUWJBYRQKAAS-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.36
Rot. Bonds9

About N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide

N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 18167081) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID18167081
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(CSC)cc1)c1ccccc1
InChIInChI=1S/C21H28N2OS/c1-4-23(5-2)20(18-9-7-6-8-10-18)15-22-21(24)19-13-11-17(12-14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyPNRUWJBYRQKAAS-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide (CID 18167081) is N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide is CCN(CC)C(CNC(=O)c1ccc(CSC)cc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is PNRUWJBYRQKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-4-23(5-2)20(18-9-7-6-8-10-18)15-22-21(24)19-13-11-17(12-14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 356.54 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 18167081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).