N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide

C23H32N2O4S — CID 170746250

IUPACN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide
SMILESCCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC.CN(C)C=O
InChIInChI=1S/C20H25NO3S.C3H7NO/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5;1-4(2)3-5/h8-13H,6-7H2,1-5H3;3H,1-2H3
InChIKeyGGDCNMBIZCEISR-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.28
Rot. Bonds8

About N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide

N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide (PubChem CID 170746250) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide
PubChem CID170746250
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide
SMILESCCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC.CN(C)C=O
InChIInChI=1S/C20H25NO3S.C3H7NO/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5;1-4(2)3-5/h8-13H,6-7H2,1-5H3;3H,1-2H3
InChIKeyGGDCNMBIZCEISR-UHFFFAOYSA-N
XLogP4.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
CID 134891251
S-[2-[2-[1-[ethyl(methyl)amino]ethenyl]-4-methoxyphenyl]-5-methoxyphenyl] N,N-dimethylcarbamothioate
CID 164598165
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
N-ethyl-N-methylethanamine;S-[2-(2-formyl-4-methoxyphenyl)-5-methoxyphenyl] N,N-dimethylcarbamothioate
CID 172595876
N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
CID 84782925
N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
CID 174542772
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide?
The IUPAC name of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide (CID 170746250) is N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide.
What is the SMILES notation for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide?
The canonical SMILES for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide is CCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC.CN(C)C=O.
What is the InChIKey of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide?
The InChIKey is GGDCNMBIZCEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S.C3H7NO/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5;1-4(2)3-5/h8-13H,6-7H2,1-5H3;3H,1-2H3.
What are the key properties of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide?
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide has a molecular weight of 432.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide is sourced from PubChem (CID 170746250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).