3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

C25H28N2O6S — CID 26878496

IUPAC3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C25H28N2O6S/c1-15-9-16(2)14-27(13-15)34(30,31)23-11-18(5-8-21(23)32-4)25(29)26-19-6-7-20-17(3)10-24(28)33-22(20)12-19/h5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,26,29)/t15-,16-/m1/s1
InChIKeyMIQRRVAJXSQNSH-HZPDHXFCSA-N
MW484.57 g/mol
LogP4.03
Rot. Bonds5

About 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 26878496) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID26878496
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C25H28N2O6S/c1-15-9-16(2)14-27(13-15)34(30,31)23-11-18(5-8-21(23)32-4)25(29)26-19-6-7-20-17(3)10-24(28)33-22(20)12-19/h5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,26,29)/t15-,16-/m1/s1
InChIKeyMIQRRVAJXSQNSH-HZPDHXFCSA-N
XLogP4.03
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.03
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

3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26211930
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
CID 46520248
N-(3,4-dimethylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966830
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 4849252
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55817376
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 26878496) is 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is MIQRRVAJXSQNSH-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-15-9-16(2)14-27(13-15)34(30,31)23-11-18(5-8-21(23)32-4)25(29)26-19-6-7-20-17(3)10-24(28)33-22(20)12-19/h5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,26,29)/t15-,16-/m1/s1.
What are the key properties of 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 484.57 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 26878496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).