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

C16H18N2O6S3 — CID 14423971

IUPACN-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
SMILESCOc1ccc(C2CC(NC(C)=O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1
InChIInChI=1S/C16H18N2O6S3/c1-9(19)18-13-8-14(10-3-5-11(24-2)6-4-10)26(20,21)16-12(13)7-15(25-16)27(17,22)23/h3-7,13-14H,8H2,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyZOPSIDYSBWYNPD-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.50
Rot. Bonds4

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

N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide (PubChem CID 14423971) has the molecular formula C16H18N2O6S3 and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
PubChem CID14423971
Molecular FormulaC16H18N2O6S3
Molecular Weight430.53 g/mol
Exact Mass430.03
IUPAC NameN-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
SMILESCOc1ccc(C2CC(NC(C)=O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1
InChIInChI=1S/C16H18N2O6S3/c1-9(19)18-13-8-14(10-3-5-11(24-2)6-4-10)26(20,21)16-12(13)7-15(25-16)27(17,22)23/h3-7,13-14H,8H2,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyZOPSIDYSBWYNPD-UHFFFAOYSA-N
XLogP1.50
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The IUPAC name of N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide (CID 14423971) is N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide is COc1ccc(C2CC(NC(C)=O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The InChIKey is ZOPSIDYSBWYNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S3/c1-9(19)18-13-8-14(10-3-5-11(24-2)6-4-10)26(20,21)16-12(13)7-15(25-16)27(17,22)23/h3-7,13-14H,8H2,1-2H3,(H,18,19)(H2,17,22,23).
What are the key properties of N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide is sourced from PubChem (CID 14423971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).