2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone

C20H24N2O4S — CID 110825143

IUPAC2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
SMILESCC1CN(S(=O)(=O)c2ccc(NCC(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-10-8-18(9-11-19)21-12-20(23)17-6-4-3-5-7-17/h3-11,15-16,21H,12-14H2,1-2H3
InChIKeyZHOYGOXLVJRGRX-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone

2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone (PubChem CID 110825143) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
PubChem CID110825143
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
SMILESCC1CN(S(=O)(=O)c2ccc(NCC(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-10-8-18(9-11-19)21-12-20(23)17-6-4-3-5-7-17/h3-11,15-16,21H,12-14H2,1-2H3
InChIKeyZHOYGOXLVJRGRX-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829775
methyl 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]acetate
CID 129488504
2-[4-(difluoromethylsulfanyl)anilino]-1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
CID 110829697
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
3-(benzenesulfonyl)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propanamide
CID 26918163
2-(2-bromoanilino)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069205
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
2-(2-bromoanilino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069203
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone?
The IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone (CID 110825143) is 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone.
What is the SMILES notation for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone?
The canonical SMILES for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone is CC1CN(S(=O)(=O)c2ccc(NCC(=O)c3ccccc3)cc2)CC(C)O1.
What is the InChIKey of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone?
The InChIKey is ZHOYGOXLVJRGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-13-22(14-16(2)26-15)27(24,25)19-10-8-18(9-11-19)21-12-20(23)17-6-4-3-5-7-17/h3-11,15-16,21H,12-14H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone?
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone has a molecular weight of 388.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone is sourced from PubChem (CID 110825143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).