2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H17N3O5S2 — CID 46650574

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O5S2/c1-10-9-24-15(16-10)17-14(19)8-18(2)25(20,21)11-3-4-12-13(7-11)23-6-5-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17,19)
InChIKeyKORJJENVDWFKFQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.48
Rot. Bonds5

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46650574) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID46650574
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O5S2/c1-10-9-24-15(16-10)17-14(19)8-18(2)25(20,21)11-3-4-12-13(7-11)23-6-5-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17,19)
InChIKeyKORJJENVDWFKFQ-UHFFFAOYSA-N
XLogP1.48
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24651476
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 46651069
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605284
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
CID 51158632
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 27711716
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581721
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 8815778
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 24651611
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 24650475
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 46650574) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KORJJENVDWFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-10-9-24-15(16-10)17-14(19)8-18(2)25(20,21)11-3-4-12-13(7-11)23-6-5-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46650574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).