2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C19H18N4O3S2 — CID 3152624

IUPAC2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(14-27-13-15-5-2-1-3-6-15)22-16-7-9-17(10-8-16)28(25,26)23-19-20-11-4-12-21-19/h1-12H,13-14H2,(H,22,24)(H,20,21,23)
InChIKeyGIACMAUJWJTJCD-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.15
Rot. Bonds8

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

2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 3152624) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID3152624
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(14-27-13-15-5-2-1-3-6-15)22-16-7-9-17(10-8-16)28(25,26)23-19-20-11-4-12-21-19/h1-12H,13-14H2,(H,22,24)(H,20,21,23)
InChIKeyGIACMAUJWJTJCD-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 3152624) is 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GIACMAUJWJTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c24-18(14-27-13-15-5-2-1-3-6-15)22-16-7-9-17(10-8-16)28(25,26)23-19-20-11-4-12-21-19/h1-12H,13-14H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3152624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).