3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide

C14H21FN2O4S — CID 113066064

IUPAC3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCCN(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-10-4-8-17(22(2,19)20)9-7-16-14(18)12-5-3-6-13(15)11-12/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)
InChIKeyNMPLGYRUOXZMMH-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.85
Rot. Bonds9

About 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide

3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 113066064) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID113066064
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOCCCN(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-10-4-8-17(22(2,19)20)9-7-16-14(18)12-5-3-6-13(15)11-12/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)
InChIKeyNMPLGYRUOXZMMH-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide (CID 113066064) is 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide is COCCCN(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is NMPLGYRUOXZMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-21-10-4-8-17(22(2,19)20)9-7-16-14(18)12-5-3-6-13(15)11-12/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18).
What are the key properties of 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide?
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 113066064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).