N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H20FN5O5S — CID 162674957

IUPACN-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H20FN5O5S/c23-19-13-28(22(31)26-21(19)30)14-20(29)27(12-17-3-1-16(11-24)2-4-17)10-9-15-5-7-18(8-6-15)34(25,32)33/h1-8,13H,9-10,12,14H2,(H2,25,32,33)(H,26,30,31)
InChIKeyIACNOHMVCYOORU-UHFFFAOYSA-N
MW485.50 g/mol
LogP0.47
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 162674957) has the molecular formula C22H20FN5O5S and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID162674957
Molecular FormulaC22H20FN5O5S
Molecular Weight485.50 g/mol
Exact Mass485.12
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H20FN5O5S/c23-19-13-28(22(31)26-21(19)30)14-20(29)27(12-17-3-1-16(11-24)2-4-17)10-9-15-5-7-18(8-6-15)34(25,32)33/h1-8,13H,9-10,12,14H2,(H2,25,32,33)(H,26,30,31)
InChIKeyIACNOHMVCYOORU-UHFFFAOYSA-N
XLogP0.47
TPSA159.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-4-Fluoro-N-Methylbenzenesulfonamide
CID 66553090
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
N-benzyl-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668326
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N,3-Dimethylbenzenesulfonamide
CID 66553091
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 46635132
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 145957307
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668894
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162672215
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162672949
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 162674398
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)benzenesulfonamide
CID 66553087

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 162674957) is N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is N#Cc1ccc(CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is IACNOHMVCYOORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O5S/c23-19-13-28(22(31)26-21(19)30)14-20(29)27(12-17-3-1-16(11-24)2-4-17)10-9-15-5-7-18(8-6-15)34(25,32)33/h1-8,13H,9-10,12,14H2,(H2,25,32,33)(H,26,30,31).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 485.50 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 162674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).