N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

C23H26N2O2S — CID 18512002

IUPACN-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C23H26N2O2S/c1-18-12-14-21(15-13-18)17-25(16-20-8-5-4-6-9-20)23-11-7-10-22(19(23)2)24-28(3,26)27/h4-15,24H,16-17H2,1-3H3
InChIKeyVESWLSZJWPMIJT-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.88
Rot. Bonds7

About N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 18512002) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID18512002
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C23H26N2O2S/c1-18-12-14-21(15-13-18)17-25(16-20-8-5-4-6-9-20)23-11-7-10-22(19(23)2)24-28(3,26)27/h4-15,24H,16-17H2,1-3H3
InChIKeyVESWLSZJWPMIJT-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (CID 18512002) is N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is Cc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1.
What is the InChIKey of N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is VESWLSZJWPMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-18-12-14-21(15-13-18)17-25(16-20-8-5-4-6-9-20)23-11-7-10-22(19(23)2)24-28(3,26)27/h4-15,24H,16-17H2,1-3H3.
What are the key properties of N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[(4-methylphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18512002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).