N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

C19H15N3O3S2 — CID 1321903

IUPACN-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C19H15N3O3S2/c23-17(20-9-13-4-3-7-25-13)11-22-10-12(14-5-1-2-6-15(14)22)8-16-18(24)21-19(26)27-16/h1-8,10H,9,11H2,(H,20,23)(H,21,24,26)/b16-8-
InChIKeyOHQYVZYJAJXYJA-PXNMLYILSA-N
MW397.48 g/mol
LogP3.04
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (PubChem CID 1321903) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
PubChem CID1321903
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C19H15N3O3S2/c23-17(20-9-13-4-3-7-25-13)11-22-10-12(14-5-1-2-6-15(14)22)8-16-18(24)21-19(26)27-16/h1-8,10H,9,11H2,(H,20,23)(H,21,24,26)/b16-8-
InChIKeyOHQYVZYJAJXYJA-PXNMLYILSA-N
XLogP3.04
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (CID 1321903) is N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is O=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The InChIKey is OHQYVZYJAJXYJA-PXNMLYILSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c23-17(20-9-13-4-3-7-25-13)11-22-10-12(14-5-1-2-6-15(14)22)8-16-18(24)21-19(26)27-16/h1-8,10H,9,11H2,(H,20,23)(H,21,24,26)/b16-8-.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 1321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).