N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide

C20H27N3O5S — CID 47065243

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCOc1ccc(Oc2cc(CNS(=O)(=O)N3CC(C)OC(C)C3)ccn2)cc1
InChIInChI=1S/C20H27N3O5S/c1-4-26-18-5-7-19(8-6-18)28-20-11-17(9-10-21-20)12-22-29(24,25)23-13-15(2)27-16(3)14-23/h5-11,15-16,22H,4,12-14H2,1-3H3
InChIKeyVXCALPNWTGKFSE-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.72
Rot. Bonds8

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 47065243) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID47065243
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCOc1ccc(Oc2cc(CNS(=O)(=O)N3CC(C)OC(C)C3)ccn2)cc1
InChIInChI=1S/C20H27N3O5S/c1-4-26-18-5-7-19(8-6-18)28-20-11-17(9-10-21-20)12-22-29(24,25)23-13-15(2)27-16(3)14-23/h5-11,15-16,22H,4,12-14H2,1-3H3
InChIKeyVXCALPNWTGKFSE-UHFFFAOYSA-N
XLogP2.72
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94022877
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47215824
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
(2S,5R)-5-(aminomethyl)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797985
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55914573
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 47065243) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide is CCOc1ccc(Oc2cc(CNS(=O)(=O)N3CC(C)OC(C)C3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is VXCALPNWTGKFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-26-18-5-7-19(8-6-18)28-20-11-17(9-10-21-20)12-22-29(24,25)23-13-15(2)27-16(3)14-23/h5-11,15-16,22H,4,12-14H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 421.52 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 47065243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).