N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

C18H22N2O3S — CID 23912821

IUPACN,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-5-7-15(8-6-14)13-20(24(4,22)23)17-11-9-16(10-12-17)18(21)19(2)3/h5-12H,13H2,1-4H3
InChIKeyYVCJINFZHNRCGW-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.66
Rot. Bonds5

About N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 23912821) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID23912821
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-5-7-15(8-6-14)13-20(24(4,22)23)17-11-9-16(10-12-17)18(21)19(2)3/h5-12H,13H2,1-4H3
InChIKeyYVCJINFZHNRCGW-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 30392525
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N,N-dimethyl-4-[[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43900385
N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 60522601
N-(cyclododecylideneamino)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126034660
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 2209187
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032247
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 23912821) is N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is YVCJINFZHNRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-5-7-15(8-6-14)13-20(24(4,22)23)17-11-9-16(10-12-17)18(21)19(2)3/h5-12H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 23912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).