3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide

C19H22N2O4S — CID 60534328

IUPAC3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H22N2O4S/c20-19(22)11-12-25-18-8-4-3-7-17(18)21-26(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,21H,1-2,5-6,11-12H2,(H2,20,22)
InChIKeyXKHOJUYUBDADEM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.62
Rot. Bonds7

About 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide

3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide (PubChem CID 60534328) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
PubChem CID60534328
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H22N2O4S/c20-19(22)11-12-25-18-8-4-3-7-17(18)21-26(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,21H,1-2,5-6,11-12H2,(H2,20,22)
InChIKeyXKHOJUYUBDADEM-UHFFFAOYSA-N
XLogP2.62
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
CID 55768562
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 52723374
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113093539
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide (CID 60534328) is 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide?
The InChIKey is XKHOJUYUBDADEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c20-19(22)11-12-25-18-8-4-3-7-17(18)21-26(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,21H,1-2,5-6,11-12H2,(H2,20,22).
What are the key properties of 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide?
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide has a molecular weight of 374.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide is sourced from PubChem (CID 60534328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).