2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one

C21H26N2O4S — CID 3389325

IUPAC2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one
SMILESCN(C)C(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-22(2)20(21(24)18-8-4-3-5-9-18)16-17-7-6-10-19(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15,20H,11-14,16H2,1-2H3
InChIKeyOKGJHENBVIRKGU-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.06
Rot. Bonds7

About 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one

2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one (PubChem CID 3389325) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one
PubChem CID3389325
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one
SMILESCN(C)C(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-22(2)20(21(24)18-8-4-3-5-9-18)16-17-7-6-10-19(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15,20H,11-14,16H2,1-2H3
InChIKeyOKGJHENBVIRKGU-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one (CID 3389325) is 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one is CN(C)C(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one?
The InChIKey is OKGJHENBVIRKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-22(2)20(21(24)18-8-4-3-5-9-18)16-17-7-6-10-19(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15,20H,11-14,16H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one?
2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one has a molecular weight of 402.52 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 3389325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).