N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide

C24H33N3O2S — CID 55969629

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCC1CC(C)CN(CCNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C24H33N3O2S/c1-18-14-19(2)17-27(16-18)12-11-25-24(29)20-6-3-7-21(15-20)26-23(28)10-4-8-22-9-5-13-30-22/h3,5-7,9,13,15,18-19H,4,8,10-12,14,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJHQKMOUEKMYCPA-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.42
Rot. Bonds9

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 55969629) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID55969629
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCC1CC(C)CN(CCNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C24H33N3O2S/c1-18-14-19(2)17-27(16-18)12-11-25-24(29)20-6-3-7-21(15-20)26-23(28)10-4-8-22-9-5-13-30-22/h3,5-7,9,13,15,18-19H,4,8,10-12,14,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJHQKMOUEKMYCPA-UHFFFAOYSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 56577546
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 55969629) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide is CC1CC(C)CN(CCNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is JHQKMOUEKMYCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-18-14-19(2)17-27(16-18)12-11-25-24(29)20-6-3-7-21(15-20)26-23(28)10-4-8-22-9-5-13-30-22/h3,5-7,9,13,15,18-19H,4,8,10-12,14,16-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 427.61 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 55969629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).