N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C28H28FN5O5S — CID 69115285

IUPACN-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCCCCn1cc(NC(=O)Cc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C28H28FN5O5S/c1-2-3-16-33-19-24(27(36)34(28(33)37)18-21-8-4-5-9-23(21)29)31-26(35)17-20-11-13-22(14-12-20)40(38,39)32-25-10-6-7-15-30-25/h4-15,19H,2-3,16-18H2,1H3,(H,30,32)(H,31,35)
InChIKeySSEYECPTYGYMGD-UHFFFAOYSA-N
MW565.63 g/mol
LogP3.37
Rot. Bonds11

About N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 69115285) has the molecular formula C28H28FN5O5S and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID69115285
Molecular FormulaC28H28FN5O5S
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC NameN-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCCCCn1cc(NC(=O)Cc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C28H28FN5O5S/c1-2-3-16-33-19-24(27(36)34(28(33)37)18-21-8-4-5-9-23(21)29)31-26(35)17-20-11-13-22(14-12-20)40(38,39)32-25-10-6-7-15-30-25/h4-15,19H,2-3,16-18H2,1H3,(H,30,32)(H,31,35)
InChIKeySSEYECPTYGYMGD-UHFFFAOYSA-N
XLogP3.37
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
N-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-[(1-methylimidazol-4-yl)sulfonylamino]phenyl]acetamide
CID 69115143
4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19191432
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 69115285) is N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is CCCCn1cc(NC(=O)Cc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SSEYECPTYGYMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O5S/c1-2-3-16-33-19-24(27(36)34(28(33)37)18-21-8-4-5-9-23(21)29)31-26(35)17-20-11-13-22(14-12-20)40(38,39)32-25-10-6-7-15-30-25/h4-15,19H,2-3,16-18H2,1H3,(H,30,32)(H,31,35).
What are the key properties of N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 565.63 g/mol, XLogP of 3.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 69115285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).