N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C23H35N3O6S — CID 55949750

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1
InChIInChI=1S/C23H35N3O6S/c1-4-17(5-2)23(28)25-10-8-18(9-11-25)24-22(27)20-16-19(6-7-21(20)31-3)33(29,30)26-12-14-32-15-13-26/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,24,27)
InChIKeyZWLGKCWYMAVYRQ-UHFFFAOYSA-N
MW481.62 g/mol
LogP1.87
Rot. Bonds8

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55949750) has the molecular formula C23H35N3O6S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55949750
Molecular FormulaC23H35N3O6S
Molecular Weight481.62 g/mol
Exact Mass481.22
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1
InChIInChI=1S/C23H35N3O6S/c1-4-17(5-2)23(28)25-10-8-18(9-11-25)24-22(27)20-16-19(6-7-21(20)31-3)33(29,30)26-12-14-32-15-13-26/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,24,27)
InChIKeyZWLGKCWYMAVYRQ-UHFFFAOYSA-N
XLogP1.87
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 125144986
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 120556774
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 55949750) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZWLGKCWYMAVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6S/c1-4-17(5-2)23(28)25-10-8-18(9-11-25)24-22(27)20-16-19(6-7-21(20)31-3)33(29,30)26-12-14-32-15-13-26/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.62 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55949750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).