3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide

C20H26N2O6S2 — CID 55613417

IUPAC3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)CC)ccc1OC
InChIInChI=1S/C20H26N2O6S2/c1-5-22(6-2)30(26,27)19-14-15(12-13-17(19)28-4)20(23)21-16-10-8-9-11-18(16)29(24,25)7-3/h8-14H,5-7H2,1-4H3,(H,21,23)
InChIKeyLRXVCXAMUYQJMH-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.77
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide

3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide (PubChem CID 55613417) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
PubChem CID55613417
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)CC)ccc1OC
InChIInChI=1S/C20H26N2O6S2/c1-5-22(6-2)30(26,27)19-14-15(12-13-17(19)28-4)20(23)21-16-10-8-9-11-18(16)29(24,25)7-3/h8-14H,5-7H2,1-4H3,(H,21,23)
InChIKeyLRXVCXAMUYQJMH-UHFFFAOYSA-N
XLogP2.77
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide (CID 55613417) is 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)CC)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide?
The InChIKey is LRXVCXAMUYQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-5-22(6-2)30(26,27)19-14-15(12-13-17(19)28-4)20(23)21-16-10-8-9-11-18(16)29(24,25)7-3/h8-14H,5-7H2,1-4H3,(H,21,23).
What are the key properties of 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide has a molecular weight of 454.57 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 55613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).