N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide

C27H27N7O4S — CID 122673631

IUPACN-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide
SMILESCN1CCN(c2cnc(NS(=O)(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2Oc2ccncc2)CC1
InChIInChI=1S/C27H27N7O4S/c1-33-14-16-34(17-15-33)24-19-29-27(31-26(24)38-22-10-12-28-13-11-22)32-39(36,37)23-9-5-8-21(18-23)30-25(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,29,31,32)
InChIKeyKJWWTKZVBUFNOH-UHFFFAOYSA-N
MW545.63 g/mol
LogP3.47
Rot. Bonds8

About N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide

N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide (PubChem CID 122673631) has the molecular formula C27H27N7O4S and a molecular weight of 545.63 g/mol. Its IUPAC name is N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide
PubChem CID122673631
Molecular FormulaC27H27N7O4S
Molecular Weight545.63 g/mol
Exact Mass545.18
IUPAC NameN-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide
SMILESCN1CCN(c2cnc(NS(=O)(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2Oc2ccncc2)CC1
InChIInChI=1S/C27H27N7O4S/c1-33-14-16-34(17-15-33)24-19-29-27(31-26(24)38-22-10-12-28-13-11-22)32-39(36,37)23-9-5-8-21(18-23)30-25(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,29,31,32)
InChIKeyKJWWTKZVBUFNOH-UHFFFAOYSA-N
XLogP3.47
TPSA129.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
CID 54247739
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 56663289
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24610745
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 30881386
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide (CID 122673631) is N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide is CN1CCN(c2cnc(NS(=O)(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2Oc2ccncc2)CC1.
What is the InChIKey of N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The InChIKey is KJWWTKZVBUFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4S/c1-33-14-16-34(17-15-33)24-19-29-27(31-26(24)38-22-10-12-28-13-11-22)32-39(36,37)23-9-5-8-21(18-23)30-25(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,30,35)(H,29,31,32).
What are the key properties of N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide has a molecular weight of 545.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-methylpiperazin-1-yl)-4-pyridin-4-yloxypyrimidin-2-yl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 122673631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).