ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

C15H16N2O5S2 — CID 2810603

IUPACethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H16N2O5S2/c1-2-21-14(18)8-11-9-23-15(16-11)17-24(19,20)12-3-4-13-10(7-12)5-6-22-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)
InChIKeySDSCZIKNDJHOSZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2810603) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2810603
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Nameethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H16N2O5S2/c1-2-21-14(18)8-11-9-23-15(16-11)17-24(19,20)12-3-4-13-10(7-12)5-6-22-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)
InChIKeySDSCZIKNDJHOSZ-UHFFFAOYSA-N
XLogP1.98
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]acetate
CID 84564759
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 2810603) is ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1.
What is the InChIKey of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is SDSCZIKNDJHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-2-21-14(18)8-11-9-23-15(16-11)17-24(19,20)12-3-4-13-10(7-12)5-6-22-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 368.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2810603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).