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

C21H20ClFN4O5S — CID 162668894

IUPACN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20ClFN4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30)
InChIKeyHHCRCIWZXNRZMQ-UHFFFAOYSA-N
MW494.93 g/mol
LogP1.25
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 162668894) has the molecular formula C21H20ClFN4O5S and a molecular weight of 494.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID162668894
Molecular FormulaC21H20ClFN4O5S
Molecular Weight494.93 g/mol
Exact Mass494.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20ClFN4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30)
InChIKeyHHCRCIWZXNRZMQ-UHFFFAOYSA-N
XLogP1.25
TPSA135.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.93
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 162668894) is N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HHCRCIWZXNRZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O5S/c22-16-5-1-15(2-6-16)11-26(10-9-14-3-7-17(8-4-14)33(24,31)32)19(28)13-27-12-18(23)20(29)25-21(27)30/h1-8,12H,9-11,13H2,(H2,24,31,32)(H,25,29,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 494.93 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 162668894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).