3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C25H22N4O3S — CID 1164323

IUPAC3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C25H22N4O3S/c30-24(18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-17,23H,18H2,(H,28,30)(H,26,27,29)
InChIKeyJDVOCRIIDFQKFM-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.44
Rot. Bonds8

About 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1164323) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1164323
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C25H22N4O3S/c30-24(18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-17,23H,18H2,(H,28,30)(H,26,27,29)
InChIKeyJDVOCRIIDFQKFM-UHFFFAOYSA-N
XLogP4.44
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19221516
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 1164323) is 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is JDVOCRIIDFQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-24(18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-17,23H,18H2,(H,28,30)(H,26,27,29).
What are the key properties of 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 458.54 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1164323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).