4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

C21H26N2O5S — CID 28633946

IUPAC4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O5S/c1-15-4-6-17(7-5-15)16(2)22-29(25,26)18-8-9-20(27-3)19(14-18)21(24)23-10-12-28-13-11-23/h4-9,14,16,22H,10-13H2,1-3H3/t16-/m0/s1
InChIKeyGEQZSHWAGXKIPP-INIZCTEOSA-N
MW418.52 g/mol
LogP2.52
Rot. Bonds6

About 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 28633946) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID28633946
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O5S/c1-15-4-6-17(7-5-15)16(2)22-29(25,26)18-8-9-20(27-3)19(14-18)21(24)23-10-12-28-13-11-23/h4-9,14,16,22H,10-13H2,1-3H3/t16-/m0/s1
InChIKeyGEQZSHWAGXKIPP-INIZCTEOSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 92677584
3-(azepane-1-carbonyl)-4-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 46771236
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
3-(azepane-1-carbonyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 30393288
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
4-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 133165611
3-(azepane-1-carbonyl)-4-methoxy-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43885368
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
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-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 28633946) is 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is GEQZSHWAGXKIPP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-4-6-17(7-5-15)16(2)22-29(25,26)18-8-9-20(27-3)19(14-18)21(24)23-10-12-28-13-11-23/h4-9,14,16,22H,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 28633946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).