(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

C25H20ClNO4S — CID 92669143

IUPAC(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3
InChIInChI=1S/C25H20ClNO4S/c1-14-21-19(30-23(14)24(29)27-13-17-4-3-11-32-17)9-10-20-22(21)18(28)12-25(2,31-20)15-5-7-16(26)8-6-15/h3-11H,12-13H2,1-2H3,(H,27,29)/t25-/m1/s1
InChIKeyRGKITMHGSAMDCY-RUZDIDTESA-N
MW465.96 g/mol
LogP6.27
Rot. Bonds4

About (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 92669143) has the molecular formula C25H20ClNO4S and a molecular weight of 465.96 g/mol. Its IUPAC name is (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID92669143
Molecular FormulaC25H20ClNO4S
Molecular Weight465.96 g/mol
Exact Mass465.08
IUPAC Name(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3
InChIInChI=1S/C25H20ClNO4S/c1-14-21-19(30-23(14)24(29)27-13-17-4-3-11-32-17)9-10-20-22(21)18(28)12-25(2,31-20)15-5-7-16(26)8-6-15/h3-11H,12-13H2,1-2H3,(H,27,29)/t25-/m1/s1
InChIKeyRGKITMHGSAMDCY-RUZDIDTESA-N
XLogP6.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (CID 92669143) is (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3.
What is the InChIKey of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is RGKITMHGSAMDCY-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20ClNO4S/c1-14-21-19(30-23(14)24(29)27-13-17-4-3-11-32-17)9-10-20-22(21)18(28)12-25(2,31-20)15-5-7-16(26)8-6-15/h3-11H,12-13H2,1-2H3,(H,27,29)/t25-/m1/s1.
What are the key properties of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 92669143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).