2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H27ClN2O4S — CID 28556467

IUPAC2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-2-3-13-24-30(27,28)17-11-12-21(19(23)14-17)29-15-22(26)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-5,7,9,11-12,14,20,24H,2-3,6,8,10,13,15H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeySDILCRLBBWVKAV-FQEVSTJZSA-N
MW450.99 g/mol
LogP3.99
Rot. Bonds9

About 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28556467) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28556467
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-2-3-13-24-30(27,28)17-11-12-21(19(23)14-17)29-15-22(26)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-5,7,9,11-12,14,20,24H,2-3,6,8,10,13,15H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeySDILCRLBBWVKAV-FQEVSTJZSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556462
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556053
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
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
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28556467) is 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SDILCRLBBWVKAV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-2-3-13-24-30(27,28)17-11-12-21(19(23)14-17)29-15-22(26)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-5,7,9,11-12,14,20,24H,2-3,6,8,10,13,15H2,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 450.99 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28556467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).