4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

C21H26N2O6S — CID 99130763

IUPAC4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-15(16-4-6-17(27-2)7-5-16)22-30(25,26)18-8-9-20(28-3)19(14-18)21(24)23-10-12-29-13-11-23/h4-9,14-15,22H,10-13H2,1-3H3/t15-/m1/s1
InChIKeyIQTBSENOAOLPGO-OAHLLOKOSA-N
MW434.51 g/mol
LogP2.22
Rot. Bonds7

About 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 99130763) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID99130763
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-15(16-4-6-17(27-2)7-5-16)22-30(25,26)18-8-9-20(28-3)19(14-18)21(24)23-10-12-29-13-11-23/h4-9,14-15,22H,10-13H2,1-3H3/t15-/m1/s1
InChIKeyIQTBSENOAOLPGO-OAHLLOKOSA-N
XLogP2.22
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 28633946
3-(azepane-1-carbonyl)-4-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 46771236
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 92677584
3-(azepane-1-carbonyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 30393288
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
4-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 133165611
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
N-ethyl-2-methoxy-5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]benzamide
CID 94019786
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 99130763) is 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is IQTBSENOAOLPGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-15(16-4-6-17(27-2)7-5-16)22-30(25,26)18-8-9-20(28-3)19(14-18)21(24)23-10-12-29-13-11-23/h4-9,14-15,22H,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 99130763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).