N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide

C19H24N2O3S — CID 51153670

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-21(2)18(16-7-5-4-6-8-16)13-20-19(22)17-11-9-15(10-12-17)14-25(3,23)24/h4-12,18H,13-14H2,1-3H3,(H,20,22)
InChIKeyFEHUKNDYNBCQEP-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 51153670) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID51153670
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-21(2)18(16-7-5-4-6-8-16)13-20-19(22)17-11-9-15(10-12-17)14-25(3,23)24/h4-12,18H,13-14H2,1-3H3,(H,20,22)
InChIKeyFEHUKNDYNBCQEP-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide (CID 51153670) is N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide is CN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is FEHUKNDYNBCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(2)18(16-7-5-4-6-8-16)13-20-19(22)17-11-9-15(10-12-17)14-25(3,23)24/h4-12,18H,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 51153670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).