4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

C20H18N4O4S — CID 12042500

IUPAC4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H18N4O4S/c25-18(15-5-2-1-3-6-15)11-12-19(26)23-16-7-9-17(10-8-16)29(27,28)24-20-21-13-4-14-22-20/h1-10,13-14H,11-12H2,(H,23,26)(H,21,22,24)
InChIKeyBVKRPOYJYSDUHC-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.88
Rot. Bonds8

About 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 12042500) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID12042500
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H18N4O4S/c25-18(15-5-2-1-3-6-15)11-12-19(26)23-16-7-9-17(10-8-16)29(27,28)24-20-21-13-4-14-22-20/h1-10,13-14H,11-12H2,(H,23,26)(H,21,22,24)
InChIKeyBVKRPOYJYSDUHC-UHFFFAOYSA-N
XLogP2.88
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
4-oxo-N,4-diphenylbutanamide
CID 825307
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 17192958
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19221516

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 12042500) is 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is O=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is BVKRPOYJYSDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-18(15-5-2-1-3-6-15)11-12-19(26)23-16-7-9-17(10-8-16)29(27,28)24-20-21-13-4-14-22-20/h1-10,13-14H,11-12H2,(H,23,26)(H,21,22,24).
What are the key properties of 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 410.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 12042500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).