N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide

C18H20N2O5S — CID 39044484

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-15-8-5-7-14(11-15)20-18(22)13-6-4-9-16(10-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyULASJXYVZFESRS-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.86
Rot. Bonds7

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide (PubChem CID 39044484) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
PubChem CID39044484
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-15-8-5-7-14(11-15)20-18(22)13-6-4-9-16(10-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyULASJXYVZFESRS-UHFFFAOYSA-N
XLogP1.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
[2-(ethylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528487
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide (CID 39044484) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide is CCNC(=O)COc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is ULASJXYVZFESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-15-8-5-7-14(11-15)20-18(22)13-6-4-9-16(10-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 39044484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).