N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide

C24H26N2O3S — CID 56832954

IUPACN-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-6-5-7-21(14-17)24(27)25-22-11-9-20(10-12-22)16-26(30(4,28)29)23-13-8-18(2)19(3)15-23/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyNLKLZNRAZINPGC-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.83
Rot. Bonds6

About N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide

N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide (PubChem CID 56832954) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
PubChem CID56832954
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-6-5-7-21(14-17)24(27)25-22-11-9-20(10-12-22)16-26(30(4,28)29)23-13-8-18(2)19(3)15-23/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyNLKLZNRAZINPGC-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 28588330
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 43878763
N-[3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-2,5-dimethylbenzamide
CID 66715420
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503654
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 99940257
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-fluorobenzamide
CID 66715266
3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-ethoxyphenyl)benzamide
CID 66715077

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide (CID 56832954) is N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide?
The InChIKey is NLKLZNRAZINPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-6-5-7-21(14-17)24(27)25-22-11-9-20(10-12-22)16-26(30(4,28)29)23-13-8-18(2)19(3)15-23/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide?
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 56832954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).