3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide

C18H25N3O4S — CID 72918754

IUPAC3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide
SMILESNC(=O)CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C18H25N3O4S/c19-17(22)12-15-8-1-2-10-21(15)26(24,25)16-9-3-5-13(11-16)18(23)20-14-6-4-7-14/h3,5,9,11,14-15H,1-2,4,6-8,10,12H2,(H2,19,22)(H,20,23)
InChIKeyHERDHDLOEIHEFW-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.39
Rot. Bonds6

About 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide

3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide (PubChem CID 72918754) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide.

Molecular Properties

Compound Name3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide
PubChem CID72918754
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide
SMILESNC(=O)CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C18H25N3O4S/c19-17(22)12-15-8-1-2-10-21(15)26(24,25)16-9-3-5-13(11-16)18(23)20-14-6-4-7-14/h3,5,9,11,14-15H,1-2,4,6-8,10,12H2,(H2,19,22)(H,20,23)
InChIKeyHERDHDLOEIHEFW-UHFFFAOYSA-N
XLogP1.39
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70264662
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N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide
CID 97198443
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 124785712
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide?
The IUPAC name of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide (CID 72918754) is 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide.
What is the SMILES notation for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide?
The canonical SMILES for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide is NC(=O)CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1.
What is the InChIKey of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide?
The InChIKey is HERDHDLOEIHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c19-17(22)12-15-8-1-2-10-21(15)26(24,25)16-9-3-5-13(11-16)18(23)20-14-6-4-7-14/h3,5,9,11,14-15H,1-2,4,6-8,10,12H2,(H2,19,22)(H,20,23).
What are the key properties of 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide?
3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide is sourced from PubChem (CID 72918754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).