N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide

C25H21N5O4S — CID 2491206

IUPACN-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C25H21N5O4S/c31-23(17-28-24(32)20-9-7-19(8-10-20)18-5-2-1-3-6-18)29-21-11-13-22(14-12-21)35(33,34)30-25-26-15-4-16-27-25/h1-16H,17H2,(H,28,32)(H,29,31)(H,26,27,30)
InChIKeyLBOPMMRFSYOLJQ-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.31
Rot. Bonds8

About N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide

N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide (PubChem CID 2491206) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide
PubChem CID2491206
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC NameN-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C25H21N5O4S/c31-23(17-28-24(32)20-9-7-19(8-10-20)18-5-2-1-3-6-18)29-21-11-13-22(14-12-21)35(33,34)30-25-26-15-4-16-27-25/h1-16H,17H2,(H,28,32)(H,29,31)(H,26,27,30)
InChIKeyLBOPMMRFSYOLJQ-UHFFFAOYSA-N
XLogP3.31
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
Ihmt-mst1-58
CID 162477909
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5
CID 57340654
4-((5-Oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino)benzenesulfonamide
CID 145953493
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145976744
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
N-(2,6-dimethylpyrimidin-4-yl)-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1224219
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenylbutanamide
CID 2915170

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide (CID 2491206) is N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide?
The InChIKey is LBOPMMRFSYOLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c31-23(17-28-24(32)20-9-7-19(8-10-20)18-5-2-1-3-6-18)29-21-11-13-22(14-12-21)35(33,34)30-25-26-15-4-16-27-25/h1-16H,17H2,(H,28,32)(H,29,31)(H,26,27,30).
What are the key properties of N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide?
N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide has a molecular weight of 487.54 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 2491206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).