N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C20H24N2O5S — CID 999464

IUPACN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-16-8-9-19(26-2)18(14-16)22(15-20(23)21-10-12-27-13-11-21)28(24,25)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFEVUJCVNIZFXRM-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.06
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 999464) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID999464
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-16-8-9-19(26-2)18(14-16)22(15-20(23)21-10-12-27-13-11-21)28(24,25)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFEVUJCVNIZFXRM-UHFFFAOYSA-N
XLogP2.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 999464) is N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is FEVUJCVNIZFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-16-8-9-19(26-2)18(14-16)22(15-20(23)21-10-12-27-13-11-21)28(24,25)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 999464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).