N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

C22H30N2O5S — CID 42936522

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCOc1cc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C22H30N2O5S/c1-17-13-24(14-18(2)29-17)30(25,26)23(3)15-20-10-11-21(22(12-20)27-4)28-16-19-8-6-5-7-9-19/h5-12,17-18H,13-16H2,1-4H3
InChIKeyZPQJXMCEDRVXHQ-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.06
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (PubChem CID 42936522) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
PubChem CID42936522
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCOc1cc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C22H30N2O5S/c1-17-13-24(14-18(2)29-17)30(25,26)23(3)15-20-10-11-21(22(12-20)27-4)28-16-19-8-6-5-7-9-19/h5-12,17-18H,13-16H2,1-4H3
InChIKeyZPQJXMCEDRVXHQ-UHFFFAOYSA-N
XLogP3.06
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
CID 94173454
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 29352136
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
(2S)-1-(benzenesulfonyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 30838799
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
(3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41013458
1-benzylsulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4647369
trans-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230416

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (CID 42936522) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is COc1cc(CN(C)S(=O)(=O)N2CC(C)OC(C)C2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The InChIKey is ZPQJXMCEDRVXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-17-13-24(14-18(2)29-17)30(25,26)23(3)15-20-10-11-21(22(12-20)27-4)28-16-19-8-6-5-7-9-19/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide has a molecular weight of 434.56 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 42936522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).