2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C22H22ClN3O4S — CID 4276516

IUPAC2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S/c1-16(18-7-3-2-4-8-18)26-31(28,29)19-9-10-21(20(23)12-19)30-15-22(27)25-14-17-6-5-11-24-13-17/h2-13,16,26H,14-15H2,1H3,(H,25,27)
InChIKeyBAWMFRFJWULZAN-UHFFFAOYSA-N
MW459.96 g/mol
LogP3.47
Rot. Bonds9

About 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 4276516) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID4276516
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S/c1-16(18-7-3-2-4-8-18)26-31(28,29)19-9-10-21(20(23)12-19)30-15-22(27)25-14-17-6-5-11-24-13-17/h2-13,16,26H,14-15H2,1H3,(H,25,27)
InChIKeyBAWMFRFJWULZAN-UHFFFAOYSA-N
XLogP3.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
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-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487
N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126386552
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 4276516) is 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is CC(NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BAWMFRFJWULZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-16(18-7-3-2-4-8-18)26-31(28,29)19-9-10-21(20(23)12-19)30-15-22(27)25-14-17-6-5-11-24-13-17/h2-13,16,26H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 459.96 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 4276516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).