4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide

C21H26N2O5S — CID 1092325

IUPAC4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-7-9-20(10-8-19)29(25,26)23(12-11-18-5-3-2-4-6-18)17-21(24)22-13-15-28-16-14-22/h2-10H,11-17H2,1H3
InChIKeyYIJPINRICXMTEK-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.79
Rot. Bonds8

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

4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1092325) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1092325
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-7-9-20(10-8-19)29(25,26)23(12-11-18-5-3-2-4-6-18)17-21(24)22-13-15-28-16-14-22/h2-10H,11-17H2,1H3
InChIKeyYIJPINRICXMTEK-UHFFFAOYSA-N
XLogP1.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide (CID 1092325) is 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is YIJPINRICXMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-19-7-9-20(10-8-19)29(25,26)23(12-11-18-5-3-2-4-6-18)17-21(24)22-13-15-28-16-14-22/h2-10H,11-17H2,1H3.
What are the key properties of 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide?
4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1092325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).