N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide

C20H27NO4S — CID 113090550

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)(C)CNS(=O)(=O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H27NO4S/c1-14-7-8-15(2)19(11-14)26(22,23)21-13-20(3,4)16-9-10-17(24-5)18(12-16)25-6/h7-12,21H,13H2,1-6H3
InChIKeyMECOQDISZIFFNI-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113090550) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113090550
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)(C)CNS(=O)(=O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H27NO4S/c1-14-7-8-15(2)19(11-14)26(22,23)21-13-20(3,4)16-9-10-17(24-5)18(12-16)25-6/h7-12,21H,13H2,1-6H3
InChIKeyMECOQDISZIFFNI-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide (CID 113090550) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide is COc1ccc(C(C)(C)CNS(=O)(=O)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MECOQDISZIFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-14-7-8-15(2)19(11-14)26(22,23)21-13-20(3,4)16-9-10-17(24-5)18(12-16)25-6/h7-12,21H,13H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.58, 7 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)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113090550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).