2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide

C18H20N2O4S3 — CID 34752593

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1
InChIInChI=1S/C18H20N2O4S3/c19-27(22,23)16-4-1-3-14(11-16)20-17(21)12-24-15-7-5-13(6-8-15)18-25-9-2-10-26-18/h1,3-8,11,18H,2,9-10,12H2,(H,20,21)(H2,19,22,23)
InChIKeyXDIOOTIBWIGDBS-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 34752593) has the molecular formula C18H20N2O4S3 and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
PubChem CID34752593
Molecular FormulaC18H20N2O4S3
Molecular Weight424.57 g/mol
Exact Mass424.06
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1
InChIInChI=1S/C18H20N2O4S3/c19-27(22,23)16-4-1-3-14(11-16)20-17(21)12-24-15-7-5-13(6-8-15)18-25-9-2-10-26-18/h1,3-8,11,18H,2,9-10,12H2,(H,20,21)(H2,19,22,23)
InChIKeyXDIOOTIBWIGDBS-UHFFFAOYSA-N
XLogP3.22
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(3-iodophenyl)acetamide
CID 30274248
N-[3-(1,3-dithian-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27843194
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
N-[4-(difluoromethoxy)phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7603238
N-[3-[[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55893531
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
[2-(4-methylanilino)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate
CID 55385627
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
N-(4-bromophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744117
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 26380529

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide (CID 34752593) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is XDIOOTIBWIGDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S3/c19-27(22,23)16-4-1-3-14(11-16)20-17(21)12-24-15-7-5-13(6-8-15)18-25-9-2-10-26-18/h1,3-8,11,18H,2,9-10,12H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 424.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 34752593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).