N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide

C21H28N2OS — CID 43047884

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(SC)ccc2C)N(C)C)cc1
InChIInChI=1S/C21H28N2OS/c1-6-16-8-10-17(11-9-16)20(23(3)4)14-22-21(24)19-13-18(25-5)12-7-15(19)2/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyDYYPEKCVFMUVRP-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 43047884) 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]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID43047884
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(SC)ccc2C)N(C)C)cc1
InChIInChI=1S/C21H28N2OS/c1-6-16-8-10-17(11-9-16)20(23(3)4)14-22-21(24)19-13-18(25-5)12-7-15(19)2/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyDYYPEKCVFMUVRP-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
CID 55370135
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide (CID 43047884) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide is CCc1ccc(C(CNC(=O)c2cc(SC)ccc2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is DYYPEKCVFMUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-6-16-8-10-17(11-9-16)20(23(3)4)14-22-21(24)19-13-18(25-5)12-7-15(19)2/h7-13,20H,6,14H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 356.54 g/mol, XLogP of 4.31, 7 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]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 43047884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).