2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide

C13H20N2O5S — CID 30148750

IUPAC2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NC)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-6-15(21(5,17)18)10-8-12(20-4)11(19-3)7-9(10)13(16)14-2/h7-8H,6H2,1-5H3,(H,14,16)
InChIKeyCBICAHPMDJCNNY-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.85
Rot. Bonds6

About 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide

2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide (PubChem CID 30148750) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
PubChem CID30148750
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NC)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-6-15(21(5,17)18)10-8-12(20-4)11(19-3)7-9(10)13(16)14-2/h7-8H,6H2,1-5H3,(H,14,16)
InChIKeyCBICAHPMDJCNNY-UHFFFAOYSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122
N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148805
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149563
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149538
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148952
2-[ethyl(methylsulfonyl)amino]-N-(5-fluoro-2-methylphenyl)-4,5-dimethoxybenzamide
CID 30149643
N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149167
2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
CID 30149467
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 30150736
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 30151398
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N,N-diethyl-4,5-dimethoxybenzamide
CID 30151642
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30150724

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide (CID 30148750) is 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide is CCN(c1cc(OC)c(OC)cc1C(=O)NC)S(C)(=O)=O.
What is the InChIKey of 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is CBICAHPMDJCNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-6-15(21(5,17)18)10-8-12(20-4)11(19-3)7-9(10)13(16)14-2/h7-8H,6H2,1-5H3,(H,14,16).
What are the key properties of 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide?
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 316.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 30148750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).