N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C19H25NO3S — CID 133210354

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)c2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H25NO3S/c1-12-7-8-13(2)17(9-12)16(5)20-24(21,22)19-11-14(3)18(23-6)10-15(19)4/h7-11,16,20H,1-6H3
InChIKeyIBBMMGFIERUEIL-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 133210354) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID133210354
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)c2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H25NO3S/c1-12-7-8-13(2)17(9-12)16(5)20-24(21,22)19-11-14(3)18(23-6)10-15(19)4/h7-11,16,20H,1-6H3
InChIKeyIBBMMGFIERUEIL-UHFFFAOYSA-N
XLogP3.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
N-[1-(2,5-dimethylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201013
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 133210354) is N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC(C)c2cc(C)ccc2C)cc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is IBBMMGFIERUEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-12-7-8-13(2)17(9-12)16(5)20-24(21,22)19-11-14(3)18(23-6)10-15(19)4/h7-11,16,20H,1-6H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 133210354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).