4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

C20H26N2O4S — CID 94249243

IUPAC4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-12-19(25-3)13-16(2)20(15)27(23,24)21-14-17-4-6-18(7-5-17)22-8-10-26-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3
InChIKeyKYBGEYFZWDVAGL-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.63
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide (PubChem CID 94249243) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
PubChem CID94249243
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-12-19(25-3)13-16(2)20(15)27(23,24)21-14-17-4-6-18(7-5-17)22-8-10-26-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3
InChIKeyKYBGEYFZWDVAGL-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.63
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

N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110362702
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
CID 51335175
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417458
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
N-(cyclohexen-1-ylmethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100542921
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide (CID 94249243) is 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is KYBGEYFZWDVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-12-19(25-3)13-16(2)20(15)27(23,24)21-14-17-4-6-18(7-5-17)22-8-10-26-11-9-22/h4-7,12-13,21H,8-11,14H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 94249243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).