2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide

C26H23N3O5S — CID 41048784

IUPAC2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23N3O5S/c30-25(22-16-18-6-1-2-9-24(18)34-26(22)31)28-20-10-12-21(13-11-20)35(32,33)29-15-4-3-8-23(29)19-7-5-14-27-17-19/h1-2,5-7,9-14,16-17,23H,3-4,8,15H2,(H,28,30)/t23-/m1/s1
InChIKeyMCBCOCUDIGJMBC-HSZRJFAPSA-N
MW489.55 g/mol
LogP4.36
Rot. Bonds5

About 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide

2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide (PubChem CID 41048784) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
PubChem CID41048784
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Name2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23N3O5S/c30-25(22-16-18-6-1-2-9-24(18)34-26(22)31)28-20-10-12-21(13-11-20)35(32,33)29-15-4-3-8-23(29)19-7-5-14-27-17-19/h1-2,5-7,9-14,16-17,23H,3-4,8,15H2,(H,28,30)/t23-/m1/s1
InChIKeyMCBCOCUDIGJMBC-HSZRJFAPSA-N
XLogP4.36
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.36
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-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide (CID 41048784) is 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide?
The InChIKey is MCBCOCUDIGJMBC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23N3O5S/c30-25(22-16-18-6-1-2-9-24(18)34-26(22)31)28-20-10-12-21(13-11-20)35(32,33)29-15-4-3-8-23(29)19-7-5-14-27-17-19/h1-2,5-7,9-14,16-17,23H,3-4,8,15H2,(H,28,30)/t23-/m1/s1.
What are the key properties of 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide?
2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide is sourced from PubChem (CID 41048784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).