4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C18H22N2O3S — CID 119279454

IUPAC4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,12,19H2,1-3H3
InChIKeyODQRVNNRCHPCHK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.38
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 119279454) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID119279454
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,12,19H2,1-3H3
InChIKeyODQRVNNRCHPCHK-UHFFFAOYSA-N
XLogP2.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
CID 134058555

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 119279454) is 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is ODQRVNNRCHPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)18(21)16-6-4-14(12-19)5-7-16/h4-11,13H,12,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 119279454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).