N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C20H24N2O4S — CID 9207628

IUPACN-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(N(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-17-7-9-18(10-8-17)22(27(24,25)19-5-3-2-4-6-19)12-11-20(23)21-13-15-26-16-14-21/h2-10H,11-16H2,1H3
InChIKeyWUQBSPYIUQNJQE-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.44
Rot. Bonds6

About N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 9207628) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID9207628
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(N(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-17-7-9-18(10-8-17)22(27(24,25)19-5-3-2-4-6-19)12-11-20(23)21-13-15-26-16-14-21/h2-10H,11-16H2,1H3
InChIKeyWUQBSPYIUQNJQE-UHFFFAOYSA-N
XLogP2.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 9207628) is N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is Cc1ccc(N(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is WUQBSPYIUQNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-17-7-9-18(10-8-17)22(27(24,25)19-5-3-2-4-6-19)12-11-20(23)21-13-15-26-16-14-21/h2-10H,11-16H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 9207628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).