(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

C26H29NO6S — CID 2479816

IUPAC(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1C
InChIInChI=1S/C26H29NO6S/c1-14-9-15(2)17(4)25(16(14)3)34(30,31)27-18(5)26(29)32-13-21-12-24(28)33-23-11-20-8-6-7-19(20)10-22(21)23/h9-12,18,27H,6-8,13H2,1-5H3/t18-/m1/s1
InChIKeyIQONGFKCUKZXGA-GOSISDBHSA-N
MW483.59 g/mol
LogP3.93
Rot. Bonds6

About (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (PubChem CID 2479816) has the molecular formula C26H29NO6S and a molecular weight of 483.59 g/mol. Its IUPAC name is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
PubChem CID2479816
Molecular FormulaC26H29NO6S
Molecular Weight483.59 g/mol
Exact Mass483.17
IUPAC Name(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1C
InChIInChI=1S/C26H29NO6S/c1-14-9-15(2)17(4)25(16(14)3)34(30,31)27-18(5)26(29)32-13-21-12-24(28)33-23-11-20-8-6-7-19(20)10-22(21)23/h9-12,18,27H,6-8,13H2,1-5H3/t18-/m1/s1
InChIKeyIQONGFKCUKZXGA-GOSISDBHSA-N
XLogP3.93
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (CID 2479816) is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1C.
What is the InChIKey of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The InChIKey is IQONGFKCUKZXGA-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29NO6S/c1-14-9-15(2)17(4)25(16(14)3)34(30,31)27-18(5)26(29)32-13-21-12-24(28)33-23-11-20-8-6-7-19(20)10-22(21)23/h9-12,18,27H,6-8,13H2,1-5H3/t18-/m1/s1.
What are the key properties of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate has a molecular weight of 483.59 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2479816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).