N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide

C21H19NO5S — CID 47026428

IUPACN-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO5S/c23-18-13-20(27-19-8-4-3-7-17(18)19)21(24)22-14-9-11-16(12-10-14)28(25,26)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,22,24)
InChIKeyXZESTDOLAJKNML-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.76
Rot. Bonds4

About N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide

N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 47026428) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
PubChem CID47026428
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO5S/c23-18-13-20(27-19-8-4-3-7-17(18)19)21(24)22-14-9-11-16(12-10-14)28(25,26)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,22,24)
InChIKeyXZESTDOLAJKNML-UHFFFAOYSA-N
XLogP3.76
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40775940
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
CID 55524189
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide (CID 47026428) is N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is XZESTDOLAJKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c23-18-13-20(27-19-8-4-3-7-17(18)19)21(24)22-14-9-11-16(12-10-14)28(25,26)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,22,24).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide?
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 47026428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).