8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide

C23H24N2O5S — CID 19119100

IUPAC8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)oc12
InChIInChI=1S/C23H24N2O5S/c1-15-10-12-25(13-11-15)31(28,29)18-8-6-17(7-9-18)24-23(27)21-14-20(26)19-5-3-4-16(2)22(19)30-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,27)
InChIKeyPKYVHWGBTYQUOE-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.77
Rot. Bonds4

About 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide

8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide (PubChem CID 19119100) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
PubChem CID19119100
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)oc12
InChIInChI=1S/C23H24N2O5S/c1-15-10-12-25(13-11-15)31(28,29)18-8-6-17(7-9-18)24-23(27)21-14-20(26)19-5-3-4-16(2)22(19)30-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,27)
InChIKeyPKYVHWGBTYQUOE-UHFFFAOYSA-N
XLogP3.77
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 40965347
8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 19119139
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119089
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 28536842
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 31512558
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
CID 9328413
6-ethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40872193
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 1011635
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide (CID 19119100) is 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide is Cc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)oc12.
What is the InChIKey of 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is PKYVHWGBTYQUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15-10-12-25(13-11-15)31(28,29)18-8-6-17(7-9-18)24-23(27)21-14-20(26)19-5-3-4-16(2)22(19)30-21/h3-9,14-15H,10-13H2,1-2H3,(H,24,27).
What are the key properties of 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide?
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).