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

C19H18N4O3S2 — CID 1214402

IUPAC2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-14-3-7-16(8-4-14)27-13-18(24)22-15-5-9-17(10-6-15)28(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyUMEODYAMQJFUDE-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.32
Rot. Bonds7

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

2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1214402) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1214402
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-14-3-7-16(8-4-14)27-13-18(24)22-15-5-9-17(10-6-15)28(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyUMEODYAMQJFUDE-UHFFFAOYSA-N
XLogP3.32
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1214402) is 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is UMEODYAMQJFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-14-3-7-16(8-4-14)27-13-18(24)22-15-5-9-17(10-6-15)28(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1214402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).