N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide

C20H25NO3S — CID 158359343

IUPACN-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCCC(=O)Cc1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-5-6-18(22)13-17-11-15(3)16(4)12-20(17)21-25(23,24)19-9-7-14(2)8-10-19/h7-12,21H,5-6,13H2,1-4H3
InChIKeyMMRRQLDEZHLKLL-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.32
Rot. Bonds7

About N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide

N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 158359343) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID158359343
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCCC(=O)Cc1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-5-6-18(22)13-17-11-15(3)16(4)12-20(17)21-25(23,24)19-9-7-14(2)8-10-19/h7-12,21H,5-6,13H2,1-4H3
InChIKeyMMRRQLDEZHLKLL-UHFFFAOYSA-N
XLogP4.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide;phenyl butanoate
CID 158359342
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide (CID 158359343) is N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide is CCCC(=O)Cc1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is MMRRQLDEZHLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-5-6-18(22)13-17-11-15(3)16(4)12-20(17)21-25(23,24)19-9-7-14(2)8-10-19/h7-12,21H,5-6,13H2,1-4H3.
What are the key properties of N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide?
N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 158359343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).