N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide

C23H20N4O3S — CID 2147405

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1
InChIInChI=1S/C23H20N4O3S/c1-16-13-14-24-23(25-16)27-31(29,30)20-11-9-19(10-12-20)26-22(28)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyLUABIJMZRZHFKX-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 2147405) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID2147405
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1
InChIInChI=1S/C23H20N4O3S/c1-16-13-14-24-23(25-16)27-31(29,30)20-11-9-19(10-12-20)26-22(28)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyLUABIJMZRZHFKX-UHFFFAOYSA-N
XLogP3.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ihmt-mst1-58
CID 162477909
[3-[[4-(4,4-Dimethyl-1-oxo-2,3-dihydroisoquinolin-6-yl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 169220699
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-methylbenzamide
CID 998055
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
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017
2-phenyl-N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)acetamide
CID 11568801
N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)-2-(thiophen-2-yl)acetamide
CID 11719652

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide (CID 2147405) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is LUABIJMZRZHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-16-13-14-24-23(25-16)27-31(29,30)20-11-9-19(10-12-20)26-22(28)15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 432.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2147405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).