4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide

C18H20N2O7S — CID 55535206

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N2O7S/c1-25-13-8-11(9-14(26-2)17(13)27-10-16(19)21)18(22)20-12-6-4-5-7-15(12)28(3,23)24/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyHBVIUIXHHOWWGL-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.22
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 55535206) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
PubChem CID55535206
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N2O7S/c1-25-13-8-11(9-14(26-2)17(13)27-10-16(19)21)18(22)20-12-6-4-5-7-15(12)28(3,23)24/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyHBVIUIXHHOWWGL-UHFFFAOYSA-N
XLogP1.22
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2,4-dimethylphenyl)-3,5-dimethoxybenzamide
CID 9243234
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
CID 55429549
4-(2-amino-2-oxoethoxy)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,5-dimethoxybenzamide
CID 55677040
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 154754687
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 55429440
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 24512899

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide (CID 55535206) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is HBVIUIXHHOWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-25-13-8-11(9-14(26-2)17(13)27-10-16(19)21)18(22)20-12-6-4-5-7-15(12)28(3,23)24/h4-9H,10H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 408.43 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 55535206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).