N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide

C21H28N2OS — CID 43045032

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(CSC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2OS/c1-5-16-9-11-18(12-10-16)20(23(2)3)14-22-21(24)19-8-6-7-17(13-19)15-25-4/h6-13,20H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyYKIKUVXCZZIHCH-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.14
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 43045032) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID43045032
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(CSC)c2)N(C)C)cc1
InChIInChI=1S/C21H28N2OS/c1-5-16-9-11-18(12-10-16)20(23(2)3)14-22-21(24)19-8-6-7-17(13-19)15-25-4/h6-13,20H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyYKIKUVXCZZIHCH-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
CID 43060765
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 39960543
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24640224

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide (CID 43045032) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide is CCc1ccc(C(CNC(=O)c2cccc(CSC)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is YKIKUVXCZZIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-5-16-9-11-18(12-10-16)20(23(2)3)14-22-21(24)19-8-6-7-17(13-19)15-25-4/h6-13,20H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 356.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 43045032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).