N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide

C20H26N2O4S — CID 110359825

IUPACN-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O4S/c1-14-11-15(2)20(16(3)12-14)27(23,24)21-18-13-17(5-6-19(18)25-4)22-7-9-26-10-8-22/h5-6,11-13,21H,7-10H2,1-4H3
InChIKeyNDAXJRRFBPYXKS-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.26
Rot. Bonds5

About N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110359825) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID110359825
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O4S/c1-14-11-15(2)20(16(3)12-14)27(23,24)21-18-13-17(5-6-19(18)25-4)22-7-9-26-10-8-22/h5-6,11-13,21H,7-10H2,1-4H3
InChIKeyNDAXJRRFBPYXKS-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110362702
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
CID 110604584
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 110359825) is N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide is COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is NDAXJRRFBPYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-11-15(2)20(16(3)12-14)27(23,24)21-18-13-17(5-6-19(18)25-4)22-7-9-26-10-8-22/h5-6,11-13,21H,7-10H2,1-4H3.
What are the key properties of N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110359825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).