N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide

C23H24N4O4S — CID 71950843

IUPACN-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(C=Cc2ccnc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4S/c1-16(2)22(28)25-18-8-12-21(13-9-18)32(29,30)27-23-24-15-14-19(26-23)7-4-17-5-10-20(31-3)11-6-17/h4-16H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyZNQXNMWVVQNRIQ-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.05
Rot. Bonds8

About N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 71950843) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID71950843
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(C=Cc2ccnc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4S/c1-16(2)22(28)25-18-8-12-21(13-9-18)32(29,30)27-23-24-15-14-19(26-23)7-4-17-5-10-20(31-3)11-6-17/h4-16H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyZNQXNMWVVQNRIQ-UHFFFAOYSA-N
XLogP4.05
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
CID 92913526
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
CID 2901378
N-[4-[(4-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25048024
4-(benzylamino)-N-[4-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5107795
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 66494087

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide (CID 71950843) is N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide is COc1ccc(C=Cc2ccnc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is ZNQXNMWVVQNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16(2)22(28)25-18-8-12-21(13-9-18)32(29,30)27-23-24-15-14-19(26-23)7-4-17-5-10-20(31-3)11-6-17/h4-16H,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 452.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 71950843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).