N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide

C19H24N2O3S — CID 27861266

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-6-11-17(25(5,23)24)12-18(14)19(22)21(4)13-15-7-9-16(10-8-15)20(2)3/h6-12H,13H2,1-5H3
InChIKeyZFKLZZIEKOQEAB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.74
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide

N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide (PubChem CID 27861266) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
PubChem CID27861266
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-6-11-17(25(5,23)24)12-18(14)19(22)21(4)13-15-7-9-16(10-8-15)20(2)3/h6-12H,13H2,1-5H3
InChIKeyZFKLZZIEKOQEAB-UHFFFAOYSA-N
XLogP2.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-5-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 55360752
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849856
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7751982
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide (CID 27861266) is N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The InChIKey is ZFKLZZIEKOQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-6-11-17(25(5,23)24)12-18(14)19(22)21(4)13-15-7-9-16(10-8-15)20(2)3/h6-12H,13H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 27861266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).