2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide

C24H21N5O3S — CID 11568801

IUPAC2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N5O3S/c25-33(31,32)21-12-10-20(11-13-21)28-24-26-15-14-22(29-24)18-6-8-19(9-7-18)27-23(30)16-17-4-2-1-3-5-17/h1-15H,16H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
InChIKeyJZLRCEAGJBQFLN-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.72
Rot. Bonds7

About 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide

2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 11568801) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide
PubChem CID11568801
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N5O3S/c25-33(31,32)21-12-10-20(11-13-21)28-24-26-15-14-22(29-24)18-6-8-19(9-7-18)27-23(30)16-17-4-2-1-3-5-17/h1-15H,16H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
InChIKeyJZLRCEAGJBQFLN-UHFFFAOYSA-N
XLogP3.72
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetylsulfamerazine
CID 67181
Urea isostere 11
CID 5329817
Ihmt-mst1-58
CID 162477909
1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71456728
hSMG-1 inhibitor 11e
CID 71458574
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
1-Methyl-3-[4-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71449587
1-Methyl-3-[4-[4-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453205
1-Methyl-3-[4-[4-[2-[4-methyl-3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453206
1-[4-[4-[2-[3-(Diethylsulfamoyl)-4-methylanilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71454944

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide (CID 11568801) is 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is JZLRCEAGJBQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c25-33(31,32)21-12-10-20(11-13-21)28-24-26-15-14-22(29-24)18-6-8-19(9-7-18)27-23(30)16-17-4-2-1-3-5-17/h1-15H,16H2,(H,27,30)(H2,25,31,32)(H,26,28,29).
What are the key properties of 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide?
2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 459.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 11568801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).