3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide

C18H19NO6S — CID 25469410

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO6S/c1-23-14-4-2-13(3-5-14)19-18(20)8-11-26(21,22)15-6-7-16-17(12-15)25-10-9-24-16/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyYZIKUXXRMJBRFQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.27
Rot. Bonds6

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 25469410) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
PubChem CID25469410
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H19NO6S/c1-23-14-4-2-13(3-5-14)19-18(20)8-11-26(21,22)15-6-7-16-17(12-15)25-10-9-24-16/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyYZIKUXXRMJBRFQ-UHFFFAOYSA-N
XLogP2.27
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide (CID 25469410) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is YZIKUXXRMJBRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-23-14-4-2-13(3-5-14)19-18(20)8-11-26(21,22)15-6-7-16-17(12-15)25-10-9-24-16/h2-7,12H,8-11H2,1H3,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 377.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 25469410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).