N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide

C13H20N2O5S3 — CID 10110333

IUPACN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H20N2O5S3/c1-8(2)7-15(9(3)16)11-4-5-22(17,18)13-10(11)6-12(21-13)23(14,19)20/h6,8,11H,4-5,7H2,1-3H3,(H2,14,19,20)
InChIKeyWHZFHGATWOZVOS-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.12
Rot. Bonds4

About N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide

N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide (PubChem CID 10110333) has the molecular formula C13H20N2O5S3 and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide
PubChem CID10110333
Molecular FormulaC13H20N2O5S3
Molecular Weight380.51 g/mol
Exact Mass380.05
IUPAC NameN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H20N2O5S3/c1-8(2)7-15(9(3)16)11-4-5-22(17,18)13-10(11)6-12(21-13)23(14,19)20/h6,8,11H,4-5,7H2,1-3H3,(H2,14,19,20)
InChIKeyWHZFHGATWOZVOS-UHFFFAOYSA-N
XLogP1.12
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide (CID 10110333) is N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide is CC(=O)N(CC(C)C)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is WHZFHGATWOZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S3/c1-8(2)7-15(9(3)16)11-4-5-22(17,18)13-10(11)6-12(21-13)23(14,19)20/h6,8,11H,4-5,7H2,1-3H3,(H2,14,19,20).
What are the key properties of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide?
N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 10110333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).