2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

C20H26N2O3S — CID 48629418

IUPAC2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-15-4-5-16(2)20(14-15)26(23,24)21-17(3)18-6-8-19(9-7-18)22-10-12-25-13-11-22/h4-9,14,17,21H,10-13H2,1-3H3
InChIKeyPXYCMIWIZAWLJX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.18
Rot. Bonds5

About 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 48629418) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
PubChem CID48629418
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-15-4-5-16(2)20(14-15)26(23,24)21-17(3)18-6-8-19(9-7-18)22-10-12-25-13-11-22/h4-9,14,17,21H,10-13H2,1-3H3
InChIKeyPXYCMIWIZAWLJX-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (CID 48629418) is 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PXYCMIWIZAWLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-4-5-16(2)20(14-15)26(23,24)21-17(3)18-6-8-19(9-7-18)22-10-12-25-13-11-22/h4-9,14,17,21H,10-13H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 48629418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).