N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide

C16H24N2O4S — CID 113139084

IUPACN-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
SMILESCC(c1ccccc1)N(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-14(15-6-4-3-5-7-15)18(23(2,20)21)9-8-16(19)17-10-12-22-13-11-17/h3-7,14H,8-13H2,1-2H3
InChIKeyXGWMTOYJIOSXOD-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.26
Rot. Bonds6

About N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide

N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide (PubChem CID 113139084) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
PubChem CID113139084
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
SMILESCC(c1ccccc1)N(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-14(15-6-4-3-5-7-15)18(23(2,20)21)9-8-16(19)17-10-12-22-13-11-17/h3-7,14H,8-13H2,1-2H3
InChIKeyXGWMTOYJIOSXOD-UHFFFAOYSA-N
XLogP1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylmethanesulfonamide
CID 113136108
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53288568
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141390
N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide (CID 113139084) is N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide is CC(c1ccccc1)N(CCC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide?
The InChIKey is XGWMTOYJIOSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-14(15-6-4-3-5-7-15)18(23(2,20)21)9-8-16(19)17-10-12-22-13-11-17/h3-7,14H,8-13H2,1-2H3.
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide?
N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide is sourced from PubChem (CID 113139084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).