2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C17H20N2O4S — CID 71942327

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)13-6-3-2-4-7-13)12-17(20)18-15-8-5-9-16-14(15)10-11-23-16/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyXWNBCSFHKMIIKS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.09
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 71942327) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID71942327
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)13-6-3-2-4-7-13)12-17(20)18-15-8-5-9-16-14(15)10-11-23-16/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyXWNBCSFHKMIIKS-UHFFFAOYSA-N
XLogP2.09
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86984838
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-methyl-1-[(2-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927709
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55622247
3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 71942327) is 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is CN(CC(=O)NC1CCCc2occc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is XWNBCSFHKMIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(24(21,22)13-6-3-2-4-7-13)12-17(20)18-15-8-5-9-16-14(15)10-11-23-16/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 71942327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).