N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide

C21H28N2O4S — CID 4826189

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-17-4-6-18(7-5-17)27-19-8-10-20(11-9-19)28(24,25)22-16-21(2,3)23-12-14-26-15-13-23/h4-11,22H,12-16H2,1-3H3
InChIKeyBCHVIOYJXOCQFG-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.18
Rot. Bonds7

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide (PubChem CID 4826189) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide
PubChem CID4826189
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-17-4-6-18(7-5-17)27-19-8-10-20(11-9-19)28(24,25)22-16-21(2,3)23-12-14-26-15-13-23/h4-11,22H,12-16H2,1-3H3
InChIKeyBCHVIOYJXOCQFG-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide (CID 4826189) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide is Cc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide?
The InChIKey is BCHVIOYJXOCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-17-4-6-18(7-5-17)27-19-8-10-20(11-9-19)28(24,25)22-16-21(2,3)23-12-14-26-15-13-23/h4-11,22H,12-16H2,1-3H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 4826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).