N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

C21H28N2O5S — CID 30148952

IUPACN-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-7-15-11-9-10-14(3)20(15)22-21(24)16-12-18(27-4)19(28-5)13-17(16)23(8-2)29(6,25)26/h9-13H,7-8H2,1-6H3,(H,22,24)
InChIKeyHKUWVZNECFXIQM-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.61
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30148952) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
PubChem CID30148952
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-7-15-11-9-10-14(3)20(15)22-21(24)16-12-18(27-4)19(28-5)13-17(16)23(8-2)29(6,25)26/h9-13H,7-8H2,1-6H3,(H,22,24)
InChIKeyHKUWVZNECFXIQM-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122
2-[ethyl(methylsulfonyl)amino]-N-(5-fluoro-2-methylphenyl)-4,5-dimethoxybenzamide
CID 30149643
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 30148750
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149167
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 958648
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126144522
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149563

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (CID 30148952) is N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is HKUWVZNECFXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-7-15-11-9-10-14(3)20(15)22-21(24)16-12-18(27-4)19(28-5)13-17(16)23(8-2)29(6,25)26/h9-13H,7-8H2,1-6H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 420.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30148952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).