5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H17ClN2O4S — CID 42896398

IUPAC5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H17ClN2O4S/c19-13-2-7-16-12(10-13)11-17(25-16)18(22)20-14-3-5-15(6-4-14)21-8-1-9-26(21,23)24/h2-7,10,17H,1,8-9,11H2,(H,20,22)
InChIKeyFTMJEBMLXBKSHP-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.82
Rot. Bonds3

About 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42896398) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42896398
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H17ClN2O4S/c19-13-2-7-16-12(10-13)11-17(25-16)18(22)20-14-3-5-15(6-4-14)21-8-1-9-26(21,23)24/h2-7,10,17H,1,8-9,11H2,(H,20,22)
InChIKeyFTMJEBMLXBKSHP-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42896398) is 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FTMJEBMLXBKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-13-2-7-16-12(10-13)11-17(25-16)18(22)20-14-3-5-15(6-4-14)21-8-1-9-26(21,23)24/h2-7,10,17H,1,8-9,11H2,(H,20,22).
What are the key properties of 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).