3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide

C23H37N3O5S — CID 55949490

IUPAC3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1
InChIInChI=1S/C23H37N3O5S/c1-7-16(8-2)22(28)26-13-11-18(12-14-26)24-21(27)17-9-10-19(31-6)20(15-17)32(29,30)25-23(3,4)5/h9-10,15-16,18,25H,7-8,11-14H2,1-6H3,(H,24,27)
InChIKeyBEKBNIBAMCMUHI-UHFFFAOYSA-N
MW467.63 g/mol
LogP2.93
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide (PubChem CID 55949490) has the molecular formula C23H37N3O5S and a molecular weight of 467.63 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
PubChem CID55949490
Molecular FormulaC23H37N3O5S
Molecular Weight467.63 g/mol
Exact Mass467.25
IUPAC Name3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1
InChIInChI=1S/C23H37N3O5S/c1-7-16(8-2)22(28)26-13-11-18(12-14-26)24-21(27)17-9-10-19(31-6)20(15-17)32(29,30)25-23(3,4)5/h9-10,15-16,18,25H,7-8,11-14H2,1-6H3,(H,24,27)
InChIKeyBEKBNIBAMCMUHI-UHFFFAOYSA-N
XLogP2.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855583
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 29261965
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950765
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide (CID 55949490) is 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is BEKBNIBAMCMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5S/c1-7-16(8-2)22(28)26-13-11-18(12-14-26)24-21(27)17-9-10-19(31-6)20(15-17)32(29,30)25-23(3,4)5/h9-10,15-16,18,25H,7-8,11-14H2,1-6H3,(H,24,27).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 467.63 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 55949490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).