N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide

C19H25NO4S — CID 113091545

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-13-7-10-18(14(2)11-13)25(21,22)20-19(3,4)15-8-9-16(23-5)17(12-15)24-6/h7-12,20H,1-6H3
InChIKeyNWSAKAYSENGSIZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113091545) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID113091545
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-13-7-10-18(14(2)11-13)25(21,22)20-19(3,4)15-8-9-16(23-5)17(12-15)24-6/h7-12,20H,1-6H3
InChIKeyNWSAKAYSENGSIZ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
CID 110441258
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
CID 113090550
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 113091653
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 56511564
N-[(1S)-1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 15981829
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide
CID 158406261
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide (CID 113091545) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide is COc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is NWSAKAYSENGSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-13-7-10-18(14(2)11-13)25(21,22)20-19(3,4)15-8-9-16(23-5)17(12-15)24-6/h7-12,20H,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113091545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).