2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C21H25ClN2O4S — CID 28556053

IUPAC2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H25ClN2O4S/c1-2-12-23-29(26,27)16-10-11-20(18(22)13-16)28-14-21(25)24-19-9-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,10-11,13,19,23H,2,5,7,9,12,14H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyAUFRENUTOHTSCG-IBGZPJMESA-N
MW436.96 g/mol
LogP3.60
Rot. Bonds8

About 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28556053) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28556053
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H25ClN2O4S/c1-2-12-23-29(26,27)16-10-11-20(18(22)13-16)28-14-21(25)24-19-9-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,10-11,13,19,23H,2,5,7,9,12,14H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyAUFRENUTOHTSCG-IBGZPJMESA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556462
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556467
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873726
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873766
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873518
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873545
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873676
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43889244

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28556053) is 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is AUFRENUTOHTSCG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-12-23-29(26,27)16-10-11-20(18(22)13-16)28-14-21(25)24-19-9-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,10-11,13,19,23H,2,5,7,9,12,14H2,1H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28556053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).