2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

C19H25NO4S — CID 30404832

IUPAC2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)19-11-16(23-5)7-8-18(19)24-6/h7-11,15,20H,1-6H3/t15-/m1/s1
InChIKeyTXNDBCPACNKMDR-OAHLLOKOSA-N
MW363.48 g/mol
LogP3.67
Rot. Bonds6

About 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 30404832) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
PubChem CID30404832
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)19-11-16(23-5)7-8-18(19)24-6/h7-11,15,20H,1-6H3/t15-/m1/s1
InChIKeyTXNDBCPACNKMDR-OAHLLOKOSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (CID 30404832) is 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is TXNDBCPACNKMDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)19-11-16(23-5)7-8-18(19)24-6/h7-11,15,20H,1-6H3/t15-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30404832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).