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

C20H20N4O3S — CID 3148017

IUPAC2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-2-18(15-7-4-3-5-8-15)19(25)23-16-9-11-17(12-10-16)28(26,27)24-20-21-13-6-14-22-20/h3-14,18H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeySPAVQOZORXRNAP-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.41
Rot. Bonds7

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

2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 3148017) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID3148017
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-2-18(15-7-4-3-5-8-15)19(25)23-16-9-11-17(12-10-16)28(26,27)24-20-21-13-6-14-22-20/h3-14,18H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeySPAVQOZORXRNAP-UHFFFAOYSA-N
XLogP3.41
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 3148017) is 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is SPAVQOZORXRNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-18(15-7-4-3-5-8-15)19(25)23-16-9-11-17(12-10-16)28(26,27)24-20-21-13-6-14-22-20/h3-14,18H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 396.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 3148017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).