N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide

C20H15N3O4S2 — CID 142717654

IUPACN-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12
InChIInChI=1S/C20H15N3O4S2/c1-26-15-5-3-2-4-14(15)22-17(24)7-12-10-21-9-11-6-13(27-18(11)12)8-16-19(25)23-20(28)29-16/h2-6,8-10H,7H2,1H3,(H,22,24)(H,23,25,28)/b16-8-
InChIKeyBVCGCWJDONDGOE-PXNMLYILSA-N
MW425.49 g/mol
LogP3.51
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide

N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide (PubChem CID 142717654) has the molecular formula C20H15N3O4S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide
PubChem CID142717654
Molecular FormulaC20H15N3O4S2
Molecular Weight425.49 g/mol
Exact Mass425.05
IUPAC NameN-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12
InChIInChI=1S/C20H15N3O4S2/c1-26-15-5-3-2-4-14(15)22-17(24)7-12-10-21-9-11-6-13(27-18(11)12)8-16-19(25)23-20(28)29-16/h2-6,8-10H,7H2,1H3,(H,22,24)(H,23,25,28)/b16-8-
InChIKeyBVCGCWJDONDGOE-PXNMLYILSA-N
XLogP3.51
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide (CID 142717654) is N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide is COc1ccccc1NC(=O)Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide?
The InChIKey is BVCGCWJDONDGOE-PXNMLYILSA-N. The full InChI is InChI=1S/C20H15N3O4S2/c1-26-15-5-3-2-4-14(15)22-17(24)7-12-10-21-9-11-6-13(27-18(11)12)8-16-19(25)23-20(28)29-16/h2-6,8-10H,7H2,1H3,(H,22,24)(H,23,25,28)/b16-8-.
What are the key properties of N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide?
N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide is sourced from PubChem (CID 142717654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).