2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide

C21H28N2O4S — CID 16890665

IUPAC2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-26-21-8-4-19(5-9-21)11-17-28(24,25)22-12-10-18-2-6-20(7-3-18)23-13-15-27-16-14-23/h2-9,22H,10-17H2,1H3
InChIKeyKCPXAVMTBRAWBC-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.24
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide (PubChem CID 16890665) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
PubChem CID16890665
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-26-21-8-4-19(5-9-21)11-17-28(24,25)22-12-10-18-2-6-20(7-3-18)23-13-15-27-16-14-23/h2-9,22H,10-17H2,1H3
InChIKeyKCPXAVMTBRAWBC-UHFFFAOYSA-N
XLogP2.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29344635
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
CID 86818230
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890659
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide (CID 16890665) is 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide?
The InChIKey is KCPXAVMTBRAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-26-21-8-4-19(5-9-21)11-17-28(24,25)22-12-10-18-2-6-20(7-3-18)23-13-15-27-16-14-23/h2-9,22H,10-17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 16890665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).