N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

C22H22N2O6S — CID 23969465

IUPACN-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H22N2O6S/c1-29-19-14-16(9-10-20(19)31(27,28)24-11-5-2-6-12-24)23-21(25)17-13-15-7-3-4-8-18(15)30-22(17)26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,25)
InChIKeyRNGKDRWFJDUJRA-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.23
Rot. Bonds5

About N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide

N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 23969465) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
PubChem CID23969465
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC NameN-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H22N2O6S/c1-29-19-14-16(9-10-20(19)31(27,28)24-11-5-2-6-12-24)23-21(25)17-13-15-7-3-4-8-18(15)30-22(17)26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,25)
InChIKeyRNGKDRWFJDUJRA-UHFFFAOYSA-N
XLogP3.23
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 13458385
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 9107286

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide (CID 23969465) is N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is COc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is RNGKDRWFJDUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-29-19-14-16(9-10-20(19)31(27,28)24-11-5-2-6-12-24)23-21(25)17-13-15-7-3-4-8-18(15)30-22(17)26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide?
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 23969465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).