N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide

C15H22N2O2S — CID 78816760

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)14(18)11-16(3)15(19)12-7-9-13(20-4)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyWGAINHMGKJWVIP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide (PubChem CID 78816760) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
PubChem CID78816760
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)14(18)11-16(3)15(19)12-7-9-13(20-4)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyWGAINHMGKJWVIP-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
N,N-diethyl-2-[[N-ethyl-N'-[(4-methylsulfanylphenyl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009265
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide (CID 78816760) is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is WGAINHMGKJWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-17(6-2)14(18)11-16(3)15(19)12-7-9-13(20-4)10-8-12/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide?
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 294.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 78816760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).