2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

C20H24N2O6S — CID 110824762

IUPAC2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(OC)c(NCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-6-7-20(27-2)18(13-16)21-14-19(23)15-4-3-5-17(12-15)29(24,25)22-8-10-28-11-9-22/h3-7,12-13,21H,8-11,14H2,1-2H3
InChIKeyCWRJTAYLBUZLAI-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.02
Rot. Bonds8

About 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110824762) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110824762
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(OC)c(NCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-6-7-20(27-2)18(13-16)21-14-19(23)15-4-3-5-17(12-15)29(24,25)22-8-10-28-11-9-22/h3-7,12-13,21H,8-11,14H2,1-2H3
InChIKeyCWRJTAYLBUZLAI-UHFFFAOYSA-N
XLogP2.02
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethoxyanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824490
ethyl 1-[3-[2-(2,5-dimethoxyanilino)acetyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 110825075
2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829556
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829595
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110829140

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (CID 110824762) is 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is COc1ccc(OC)c(NCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is CWRJTAYLBUZLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-16-6-7-20(27-2)18(13-16)21-14-19(23)15-4-3-5-17(12-15)29(24,25)22-8-10-28-11-9-22/h3-7,12-13,21H,8-11,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 420.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).