N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide

C16H14N4O3S2 — CID 649585

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20)
InChIKeyHZCJPWVLCMLMKF-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.52
Rot. Bonds6

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

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 649585) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID649585
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20)
InChIKeyHZCJPWVLCMLMKF-UHFFFAOYSA-N
XLogP2.52
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide (CID 649585) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is HZCJPWVLCMLMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 374.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 649585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).