2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C22H19ClN4O4S — CID 18860924

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc(Cl)cc34)cc2)n1
InChIInChI=1S/C22H19ClN4O4S/c1-13-9-14(2)25-22(24-13)27-32(29,30)18-6-4-17(5-7-18)26-21(28)10-15-12-31-20-8-3-16(23)11-19(15)20/h3-9,11-12H,10H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyHPAWEQODXOAPJS-UHFFFAOYSA-N
MW470.94 g/mol
LogP4.48
Rot. Bonds6

About 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 18860924) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID18860924
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc(Cl)cc34)cc2)n1
InChIInChI=1S/C22H19ClN4O4S/c1-13-9-14(2)25-22(24-13)27-32(29,30)18-6-4-17(5-7-18)26-21(28)10-15-12-31-20-8-3-16(23)11-19(15)20/h3-9,11-12H,10H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyHPAWEQODXOAPJS-UHFFFAOYSA-N
XLogP4.48
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 28580204
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
CID 18860319
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 18860924) is 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc(Cl)cc34)cc2)n1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is HPAWEQODXOAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-13-9-14(2)25-22(24-13)27-32(29,30)18-6-4-17(5-7-18)26-21(28)10-15-12-31-20-8-3-16(23)11-19(15)20/h3-9,11-12H,10H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 470.94 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18860924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).