2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C19H17ClN4O4S — CID 1183055

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-13-11-14(20)3-8-17(13)28-12-18(25)23-15-4-6-16(7-5-15)29(26,27)24-19-21-9-2-10-22-19/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyROTISOBMQVVIDW-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.26
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1183055) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1183055
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-13-11-14(20)3-8-17(13)28-12-18(25)23-15-4-6-16(7-5-15)29(26,27)24-19-21-9-2-10-22-19/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyROTISOBMQVVIDW-UHFFFAOYSA-N
XLogP3.26
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1183055) is 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ROTISOBMQVVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-13-11-14(20)3-8-17(13)28-12-18(25)23-15-4-6-16(7-5-15)29(26,27)24-19-21-9-2-10-22-19/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 432.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1183055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).