carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide

C19H21N3O7S2 — CID 121281279

IUPACcarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
SMILESO=C(Nc1sc2c(c1-c1nc(C3CC3)no1)CCS(=O)(=O)C2)C1=CCCC1.O=C(O)O
InChIInChI=1S/C18H19N3O4S2.CH2O3/c22-16(11-3-1-2-4-11)20-18-14(17-19-15(21-25-17)10-5-6-10)12-7-8-27(23,24)9-13(12)26-18;2-1(3)4/h3,10H,1-2,4-9H2,(H,20,22);(H2,2,3,4)
InChIKeyPBSMXFHXBBQJDP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.42
Rot. Bonds4

About carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide

carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide (PubChem CID 121281279) has the molecular formula C19H21N3O7S2 and a molecular weight of 467.53 g/mol. Its IUPAC name is carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
PubChem CID121281279
Molecular FormulaC19H21N3O7S2
Molecular Weight467.53 g/mol
Exact Mass467.08
IUPAC Namecarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
SMILESO=C(Nc1sc2c(c1-c1nc(C3CC3)no1)CCS(=O)(=O)C2)C1=CCCC1.O=C(O)O
InChIInChI=1S/C18H19N3O4S2.CH2O3/c22-16(11-3-1-2-4-11)20-18-14(17-19-15(21-25-17)10-5-6-10)12-7-8-27(23,24)9-13(12)26-18;2-1(3)4/h3,10H,1-2,4-9H2,(H,20,22);(H2,2,3,4)
InChIKeyPBSMXFHXBBQJDP-UHFFFAOYSA-N
XLogP3.42
TPSA159.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The IUPAC name of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide (CID 121281279) is carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The canonical SMILES for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide is O=C(Nc1sc2c(c1-c1nc(C3CC3)no1)CCS(=O)(=O)C2)C1=CCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The InChIKey is PBSMXFHXBBQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2.CH2O3/c22-16(11-3-1-2-4-11)20-18-14(17-19-15(21-25-17)10-5-6-10)12-7-8-27(23,24)9-13(12)26-18;2-1(3)4/h3,10H,1-2,4-9H2,(H,20,22);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 121281279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).