2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C20H16N4O5S — CID 41297251

IUPAC2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H16N4O5S/c25-18(12-17-15-4-1-2-5-16(15)19(26)29-17)23-13-6-8-14(9-7-13)30(27,28)24-20-21-10-3-11-22-20/h1-11,17H,12H2,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyBETCJSXMULWSSI-KRWDZBQOSA-N
MW424.44 g/mol
LogP2.52
Rot. Bonds6

About 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 41297251) has the molecular formula C20H16N4O5S and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID41297251
Molecular FormulaC20H16N4O5S
Molecular Weight424.44 g/mol
Exact Mass424.08
IUPAC Name2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H16N4O5S/c25-18(12-17-15-4-1-2-5-16(15)19(26)29-17)23-13-6-8-14(9-7-13)30(27,28)24-20-21-10-3-11-22-20/h1-11,17H,12H2,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyBETCJSXMULWSSI-KRWDZBQOSA-N
XLogP2.52
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413
N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26894768
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
CID 1213546
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 40588060
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 41297251) is 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is BETCJSXMULWSSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16N4O5S/c25-18(12-17-15-4-1-2-5-16(15)19(26)29-17)23-13-6-8-14(9-7-13)30(27,28)24-20-21-10-3-11-22-20/h1-11,17H,12H2,(H,23,25)(H,21,22,24)/t17-/m0/s1.
What are the key properties of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 424.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 41297251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).