2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

C22H24N2O4S — CID 126203847

IUPAC2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H24N2O4S/c1-3-16(2)24-29(26,27)19-13-11-18(12-14-19)28-15-22(25)23-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyKOVMDIQQRQHNDB-INIZCTEOSA-N
MW412.51 g/mol
LogP3.93
Rot. Bonds8

About 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 126203847) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
PubChem CID126203847
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H24N2O4S/c1-3-16(2)24-29(26,27)19-13-11-18(12-14-19)28-15-22(25)23-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyKOVMDIQQRQHNDB-INIZCTEOSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(naphthalen-1-ylmethyl)acetamide
CID 133163719
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (CID 126203847) is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is KOVMDIQQRQHNDB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-3-16(2)24-29(26,27)19-13-11-18(12-14-19)28-15-22(25)23-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 412.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 126203847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).