2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide

C16H24N4O4S — CID 119445720

IUPAC2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCN1CCNCC1
InChIInChI=1S/C16H24N4O4S/c21-16(18-5-8-20-6-3-17-4-7-20)10-19-25(22,23)15-2-1-13-11-24-12-14(13)9-15/h1-2,9,17,19H,3-8,10-12H2,(H,18,21)
InChIKeyFYXGTRJEAOQUOH-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.98
Rot. Bonds7

About 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119445720) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119445720
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCN1CCNCC1
InChIInChI=1S/C16H24N4O4S/c21-16(18-5-8-20-6-3-17-4-7-20)10-19-25(22,23)15-2-1-13-11-24-12-14(13)9-15/h1-2,9,17,19H,3-8,10-12H2,(H,18,21)
InChIKeyFYXGTRJEAOQUOH-UHFFFAOYSA-N
XLogP-0.98
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110285252
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119445662
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
CID 119613784
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
(2S)-1-[2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365630
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide (CID 119445720) is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCN1CCNCC1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is FYXGTRJEAOQUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c21-16(18-5-8-20-6-3-17-4-7-20)10-19-25(22,23)15-2-1-13-11-24-12-14(13)9-15/h1-2,9,17,19H,3-8,10-12H2,(H,18,21).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide?
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119445720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).