2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide

C19H21N3O4S2 — CID 2460505

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-3-22(4-2)28(24,25)15-11-9-14(10-12-15)20-18(23)13-27-19-21-16-7-5-6-8-17(16)26-19/h5-12H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyLYMQWFSVKYFFJQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.59
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 2460505) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID2460505
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-3-22(4-2)28(24,25)15-11-9-14(10-12-15)20-18(23)13-27-19-21-16-7-5-6-8-17(16)26-19/h5-12H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyLYMQWFSVKYFFJQ-UHFFFAOYSA-N
XLogP3.59
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 2460505) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is LYMQWFSVKYFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-3-22(4-2)28(24,25)15-11-9-14(10-12-15)20-18(23)13-27-19-21-16-7-5-6-8-17(16)26-19/h5-12H,3-4,13H2,1-2H3,(H,20,23).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2460505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).