N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide

C19H23FN2O3S — CID 51127416

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-21(2)11-12-22(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)26(3,24)25/h4-10,13H,11-12,14H2,1-3H3
InChIKeyCEIOVDFQJMPGFM-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide (PubChem CID 51127416) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
PubChem CID51127416
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-21(2)11-12-22(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)26(3,24)25/h4-10,13H,11-12,14H2,1-3H3
InChIKeyCEIOVDFQJMPGFM-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dinitrobenzamide
CID 60598595
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 60598900
1-[2-(dimethylamino)ethyl]-1-[(3-fluorophenyl)methyl]-3-prop-2-enylurea
CID 86862869
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598670
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-oxobutanamide
CID 60622864
[4-[[2-(dimethylamino)ethyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46110998

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide (CID 51127416) is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide is CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is CEIOVDFQJMPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-21(2)11-12-22(14-15-5-4-6-17(20)13-15)19(23)16-7-9-18(10-8-16)26(3,24)25/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 51127416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).