4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C15H22N2O5S — CID 110712416

IUPAC4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O5S/c1-11-9-14(12(2)8-13(11)21-3)23(19,20)16-10-15(18)17-4-6-22-7-5-17/h8-9,16H,4-7,10H2,1-3H3
InChIKeyOWMKONSEGOKEJR-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.45
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 110712416) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID110712416
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O5S/c1-11-9-14(12(2)8-13(11)21-3)23(19,20)16-10-15(18)17-4-6-22-7-5-17/h8-9,16H,4-7,10H2,1-3H3
InChIKeyOWMKONSEGOKEJR-UHFFFAOYSA-N
XLogP0.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110370788
2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 171138562
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370507
N-(3,4-dimethylphenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112996580
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 110712416) is 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is OWMKONSEGOKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11-9-14(12(2)8-13(11)21-3)23(19,20)16-10-15(18)17-4-6-22-7-5-17/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 110712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).