3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide

C14H22N2O3S — CID 84592083

IUPAC3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
SMILESCN(CCCS(C)(=O)=O)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-15(2)13-8-5-7-12(11-13)14(17)16(3)9-6-10-20(4,18)19/h5,7-8,11H,6,9-10H2,1-4H3
InChIKeyPYHNSFPHSFPFIJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.26
Rot. Bonds6

About 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide

3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 84592083) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
PubChem CID84592083
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
SMILESCN(CCCS(C)(=O)=O)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-15(2)13-8-5-7-12(11-13)14(17)16(3)9-6-10-20(4,18)19/h5,7-8,11H,6,9-10H2,1-4H3
InChIKeyPYHNSFPHSFPFIJ-UHFFFAOYSA-N
XLogP1.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
2-ethyl-N-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 84591945
1-[3-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-ol
CID 105082550
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
1-[4-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-one
CID 105084211
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide (CID 84592083) is 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide is CN(CCCS(C)(=O)=O)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is PYHNSFPHSFPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15(2)13-8-5-7-12(11-13)14(17)16(3)9-6-10-20(4,18)19/h5,7-8,11H,6,9-10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide?
3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 84592083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).