N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide

C17H26N2O5S — CID 18108349

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H26N2O5S/c1-4-23-15-5-7-16(8-6-15)25(21,22)18-10-9-17(20)19-11-13(2)24-14(3)12-19/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyULYHQSBUACESNR-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.39
Rot. Bonds7

About N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide (PubChem CID 18108349) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
PubChem CID18108349
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H26N2O5S/c1-4-23-15-5-7-16(8-6-15)25(21,22)18-10-9-17(20)19-11-13(2)24-14(3)12-19/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyULYHQSBUACESNR-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide (CID 18108349) is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The InChIKey is ULYHQSBUACESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-4-23-15-5-7-16(8-6-15)25(21,22)18-10-9-17(20)19-11-13(2)24-14(3)12-19/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 18108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).