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

C15H22N2O4S — CID 113141742

IUPACN-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-13-4-3-5-14(12-13)17(22(2,19)20)7-6-15(18)16-8-10-21-11-9-16/h3-5,12H,6-11H2,1-2H3
InChIKeyVGDSJYMEFHINGH-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.01
Rot. Bonds5

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

N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (PubChem CID 113141742) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
PubChem CID113141742
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-13-4-3-5-14(12-13)17(22(2,19)20)7-6-15(18)16-8-10-21-11-9-16/h3-5,12H,6-11H2,1-2H3
InChIKeyVGDSJYMEFHINGH-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53287648
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145908
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142346

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (CID 113141742) is N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is Cc1cccc(N(CCC(=O)N2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The InChIKey is VGDSJYMEFHINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-13-4-3-5-14(12-13)17(22(2,19)20)7-6-15(18)16-8-10-21-11-9-16/h3-5,12H,6-11H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is sourced from PubChem (CID 113141742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).