6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide

C23H24N2O5S — CID 2026510

IUPAC6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O5S/c1-15-12-16(2)22-19(13-15)20(26)14-21(30-22)23(27)24-17-6-8-18(9-7-17)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,27)
InChIKeyMSWVLJZVHOGYTI-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.84
Rot. Bonds4

About 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide

6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide (PubChem CID 2026510) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide
PubChem CID2026510
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H24N2O5S/c1-15-12-16(2)22-19(13-15)20(26)14-21(30-22)23(27)24-17-6-8-18(9-7-17)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,27)
InChIKeyMSWVLJZVHOGYTI-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-1-Benzopyran-2-carboxanilide, 4-oxo-4'-sulfamoyl-
CID 19703
2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-6,8-dimethyl-4H-chromen-4-one
CID 4970947
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-[4-(acetylamino)phenyl]-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 4972988
N-(3-acetylphenyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 22548380
hCA inhibitor, 5
CID 71490867
7-methyl-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
CID 16013517
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide?
The IUPAC name of 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide (CID 2026510) is 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide.
What is the SMILES notation for 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide?
The canonical SMILES for 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide?
The InChIKey is MSWVLJZVHOGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15-12-16(2)22-19(13-15)20(26)14-21(30-22)23(27)24-17-6-8-18(9-7-17)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,27).
What are the key properties of 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide?
6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)chromene-2-carboxamide is sourced from PubChem (CID 2026510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).