2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

C20H24N2O4S — CID 110824761

IUPAC2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCc1cccc(C)c1NCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-3-6-16(2)20(15)21-14-19(23)17-7-4-8-18(13-17)27(24,25)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyNTMOJFMODSHGKD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.62
Rot. Bonds6

About 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110824761) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110824761
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCc1cccc(C)c1NCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-3-6-16(2)20(15)21-14-19(23)17-7-4-8-18(13-17)27(24,25)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyNTMOJFMODSHGKD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 110824781
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824762
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
1-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethanone
CID 110829610
2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 110829489
ethyl 2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate
CID 110829557
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (CID 110824761) is 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is Cc1cccc(C)c1NCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is NTMOJFMODSHGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-3-6-16(2)20(15)21-14-19(23)17-7-4-8-18(13-17)27(24,25)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 388.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).