3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide

C21H23N5O5S2 — CID 134208666

IUPAC3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3cncnc3)cc2CCC(N)=O)c1
InChIInChI=1S/C21H23N5O5S2/c1-32(28,29)25-18-8-16(9-19(10-18)26-33(2,30)31)20-5-3-14(17-11-23-13-24-12-17)7-15(20)4-6-21(22)27/h3,5,7-13,25-26H,4,6H2,1-2H3,(H2,22,27)
InChIKeyAMJJIWJQIWHWJS-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.97
Rot. Bonds9

About 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide

3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide (PubChem CID 134208666) has the molecular formula C21H23N5O5S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
PubChem CID134208666
Molecular FormulaC21H23N5O5S2
Molecular Weight489.58 g/mol
Exact Mass489.11
IUPAC Name3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3cncnc3)cc2CCC(N)=O)c1
InChIInChI=1S/C21H23N5O5S2/c1-32(28,29)25-18-8-16(9-19(10-18)26-33(2,30)31)20-5-3-14(17-11-23-13-24-12-17)7-15(20)4-6-21(22)27/h3,5,7-13,25-26H,4,6H2,1-2H3,(H2,22,27)
InChIKeyAMJJIWJQIWHWJS-UHFFFAOYSA-N
XLogP1.97
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017
N-[2-[3-(ethenylsulfonylamino)anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556633
US10450297, Example 106
CID 57584703
US10450297, Example 340
CID 57584788
3-({4-[(5-Methanesulfonamido-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138027
Cps125
CID 56929387
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1080635
N-[3-[4-(benzylamino)pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3233258
N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
CID 3233458
N-[3-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3234829
2-(4-methylphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 3463935
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pentanamide
CID 24234586

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide?
The IUPAC name of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide (CID 134208666) is 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide.
What is the SMILES notation for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide?
The canonical SMILES for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide is CS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3cncnc3)cc2CCC(N)=O)c1.
What is the InChIKey of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide?
The InChIKey is AMJJIWJQIWHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S2/c1-32(28,29)25-18-8-16(9-19(10-18)26-33(2,30)31)20-5-3-14(17-11-23-13-24-12-17)7-15(20)4-6-21(22)27/h3,5,7-13,25-26H,4,6H2,1-2H3,(H2,22,27).
What are the key properties of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide?
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide has a molecular weight of 489.58 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide is sourced from PubChem (CID 134208666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).