7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

C21H18N4O5S — CID 38011887

IUPAC7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)oc12
InChIInChI=1S/C21H18N4O5S/c1-13-10-11-22-21(23-13)25-31(27,28)16-8-6-15(7-9-16)24-20(26)18-12-14-4-3-5-17(29-2)19(14)30-18/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVTZKFPXNRSPOQB-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.59
Rot. Bonds6

About 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 38011887) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID38011887
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Name7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)oc12
InChIInChI=1S/C21H18N4O5S/c1-13-10-11-22-21(23-13)25-31(27,28)16-8-6-15(7-9-16)24-20(26)18-12-14-4-3-5-17(29-2)19(14)30-18/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVTZKFPXNRSPOQB-UHFFFAOYSA-N
XLogP3.59
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
7-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122316335
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 43908824
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (CID 38011887) is 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)oc12.
What is the InChIKey of 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VTZKFPXNRSPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-13-10-11-22-21(23-13)25-31(27,28)16-8-6-15(7-9-16)24-20(26)18-12-14-4-3-5-17(29-2)19(14)30-18/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38011887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).