N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C20H25NO5S — CID 56511564

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C20H25NO5S/c1-13-11-19(14(2)10-17(13)24-5)27(22,23)21-20(3,4)15-6-7-16-18(12-15)26-9-8-25-16/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyFMFRBCVZKILRLG-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 56511564) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID56511564
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C20H25NO5S/c1-13-11-19(14(2)10-17(13)24-5)27(22,23)21-20(3,4)15-6-7-16-18(12-15)26-9-8-25-16/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyFMFRBCVZKILRLG-UHFFFAOYSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 113091653
N-[2-(4-methoxyphenyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091712
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 56511437
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90497823
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561897
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370507
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095488

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 56511564) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is FMFRBCVZKILRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-13-11-19(14(2)10-17(13)24-5)27(22,23)21-20(3,4)15-6-7-16-18(12-15)26-9-8-25-16/h6-7,10-12,21H,8-9H2,1-5H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 56511564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).