5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

C24H26N2O5S — CID 40965332

IUPAC5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)oc2c1
InChIInChI=1S/C24H26N2O5S/c1-15-12-16(2)23-20(27)14-22(31-21(23)13-15)24(28)25-18-7-9-19(10-8-18)32(29,30)26-11-5-4-6-17(26)3/h7-10,12-14,17H,4-6,11H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyRJQFEOGVOLWCKZ-QGZVFWFLSA-N
MW454.55 g/mol
LogP4.23
Rot. Bonds4

About 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide

5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (PubChem CID 40965332) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
PubChem CID40965332
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)oc2c1
InChIInChI=1S/C24H26N2O5S/c1-15-12-16(2)23-20(27)14-22(31-21(23)13-15)24(28)25-18-7-9-19(10-8-18)32(29,30)26-11-5-4-6-17(26)3/h7-10,12-14,17H,4-6,11H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyRJQFEOGVOLWCKZ-QGZVFWFLSA-N
XLogP4.23
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-5,7-dimethyl-4-oxochromene-2-carboxamide
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1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-3-propan-2-ylthiourea
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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide (CID 40965332) is 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)oc2c1.
What is the InChIKey of 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is RJQFEOGVOLWCKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-15-12-16(2)23-20(27)14-22(31-21(23)13-15)24(28)25-18-7-9-19(10-8-18)32(29,30)26-11-5-4-6-17(26)3/h7-10,12-14,17H,4-6,11H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide?
5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 40965332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).