N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide

C17H17NO5S2 — CID 71894507

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S2/c1-12-4-2-3-5-16(12)24-11-17(19)18-25(20,21)13-6-7-14-15(10-13)23-9-8-22-14/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyCDKZAOLSILXZMA-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.36
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 71894507) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID71894507
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S2/c1-12-4-2-3-5-16(12)24-11-17(19)18-25(20,21)13-6-7-14-15(10-13)23-9-8-22-14/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyCDKZAOLSILXZMA-UHFFFAOYSA-N
XLogP2.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51177619
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylethanone
CID 61230240
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
CID 75403977
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-methylhexanamide
CID 95595327
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate
CID 3312735
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 3153126
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-propan-2-ylacetamide
CID 19260268
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 75415179
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90598894

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide (CID 71894507) is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is CDKZAOLSILXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c1-12-4-2-3-5-16(12)24-11-17(19)18-25(20,21)13-6-7-14-15(10-13)23-9-8-22-14/h2-7,10H,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 379.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 71894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).