2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide

C22H23N5O3S — CID 139503413

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H23N5O3S/c1-22(2,19-11-13-24-21(26-19)27-31(29,30)18-9-10-18)20(28)25-17-7-5-15(6-8-17)16-4-3-12-23-14-16/h3-8,11-14,18H,9-10H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyNEIPXWOFYVTRMC-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (PubChem CID 139503413) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
PubChem CID139503413
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H23N5O3S/c1-22(2,19-11-13-24-21(26-19)27-31(29,30)18-9-10-18)20(28)25-17-7-5-15(6-8-17)16-4-3-12-23-14-16/h3-8,11-14,18H,9-10H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyNEIPXWOFYVTRMC-UHFFFAOYSA-N
XLogP3.36
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71456728
1-Methyl-3-[4-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71449587
1-Methyl-3-[4-[4-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71458573
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
N-hydroxy-1-[4-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 145952449
N-[5-(hydroxyamino)-5-oxopentyl]-1-[4-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 145955759
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
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-(2-oxo-5-pyrimidin-5-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 15981111
US10450297, Example 54
CID 57584538

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (CID 139503413) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The InChIKey is NEIPXWOFYVTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-22(2,19-11-13-24-21(26-19)27-31(29,30)18-9-10-18)20(28)25-17-7-5-15(6-8-17)16-4-3-12-23-14-16/h3-8,11-14,18H,9-10H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide has a molecular weight of 437.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 139503413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).