N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C23H21ClN2O6S — CID 1264182

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O6S/c1-15(16-5-3-2-4-6-16)26-33(28,29)18-8-10-20(19(24)12-18)30-13-23(27)25-17-7-9-21-22(11-17)32-14-31-21/h2-12,15,26H,13-14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyBZYSVWDJDSZCQU-HNNXBMFYSA-N
MW488.95 g/mol
LogP4.13
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 1264182) has the molecular formula C23H21ClN2O6S and a molecular weight of 488.95 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID1264182
Molecular FormulaC23H21ClN2O6S
Molecular Weight488.95 g/mol
Exact Mass488.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O6S/c1-15(16-5-3-2-4-6-16)26-33(28,29)18-8-10-20(19(24)12-18)30-13-23(27)25-17-7-9-21-22(11-17)32-14-31-21/h2-12,15,26H,13-14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyBZYSVWDJDSZCQU-HNNXBMFYSA-N
XLogP4.13
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2227366
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 1264182) is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is BZYSVWDJDSZCQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21ClN2O6S/c1-15(16-5-3-2-4-6-16)26-33(28,29)18-8-10-20(19(24)12-18)30-13-23(27)25-17-7-9-21-22(11-17)32-14-31-21/h2-12,15,26H,13-14H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 488.95 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 1264182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).