N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide

C20H24N2O5S2 — CID 133250877

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)NCC2COc3ccccc3O2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O5S2/c1-13(2)20(23)22-16-10-15(8-9-19(16)28-3)29(24,25)21-11-14-12-26-17-6-4-5-7-18(17)27-14/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyIUHHLIOGWZHYPX-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.12
Rot. Bonds7

About N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 133250877) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID133250877
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)NCC2COc3ccccc3O2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O5S2/c1-13(2)20(23)22-16-10-15(8-9-19(16)28-3)29(24,25)21-11-14-12-26-17-6-4-5-7-18(17)27-14/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyIUHHLIOGWZHYPX-UHFFFAOYSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 99645862
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)benzoate
CID 133250840
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 32940565
methyl 3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]benzoate
CID 31758735
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethylbenzenesulfonamide
CID 51182528
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 100578461
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide (CID 133250877) is N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide is CSc1ccc(S(=O)(=O)NCC2COc3ccccc3O2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is IUHHLIOGWZHYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-13(2)20(23)22-16-10-15(8-9-19(16)28-3)29(24,25)21-11-14-12-26-17-6-4-5-7-18(17)27-14/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 436.56 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 133250877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).