2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

C16H24N2O4S — CID 55342252

IUPAC2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-13-4-5-14(23(2,20)21)12-15(13)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyFYVFPWPGKRZGRG-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.85
Rot. Bonds6

About 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 55342252) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID55342252
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-13-4-5-14(23(2,20)21)12-15(13)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyFYVFPWPGKRZGRG-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 55342252) is 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FYVFPWPGKRZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13-4-5-14(23(2,20)21)12-15(13)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide?
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 55342252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).