N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide

C14H20N2O4S — CID 67707285

IUPACN-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)15-13-4-2-12(3-5-13)10-14(17)11-16-6-8-20-9-7-16/h2-5,15H,6-11H2,1H3
InChIKeyAVXNHZNDRULBDZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.50
Rot. Bonds6

About N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide

N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide (PubChem CID 67707285) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
PubChem CID67707285
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)15-13-4-2-12(3-5-13)10-14(17)11-16-6-8-20-9-7-16/h2-5,15H,6-11H2,1H3
InChIKeyAVXNHZNDRULBDZ-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
CID 62973974
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
CID 83085852
2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
CID 62303922
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide (CID 67707285) is N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide?
The InChIKey is AVXNHZNDRULBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)15-13-4-2-12(3-5-13)10-14(17)11-16-6-8-20-9-7-16/h2-5,15H,6-11H2,1H3.
What are the key properties of N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide?
N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide is sourced from PubChem (CID 67707285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).