2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

C19H21ClN2O5S — CID 17105878

IUPAC2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O5S/c20-17-5-1-2-6-18(17)27-13-19(23)22-14-7-9-16(10-8-14)28(24,25)21-12-15-4-3-11-26-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,23)
InChIKeyHGBYWCVQNYDVPC-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.81
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 17105878) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID17105878
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O5S/c20-17-5-1-2-6-18(17)27-13-19(23)22-14-7-9-16(10-8-14)28(24,25)21-12-15-4-3-11-26-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,23)
InChIKeyHGBYWCVQNYDVPC-UHFFFAOYSA-N
XLogP2.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17161178
2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
(E)-3-(2-chlorophenyl)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]prop-2-enamide
CID 41178244
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 17105878) is 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is HGBYWCVQNYDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c20-17-5-1-2-6-18(17)27-13-19(23)22-14-7-9-16(10-8-14)28(24,25)21-12-15-4-3-11-26-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17105878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).