3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C26H34N2O3S — CID 166350421

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)C1
InChIInChI=1S/C26H34N2O3S/c1-18-13-19(2)17-28(16-18)32(30,31)25-10-6-9-24(15-25)26(29)27-20(3)22-12-11-21-7-4-5-8-23(21)14-22/h6,9-12,14-15,18-20H,4-5,7-8,13,16-17H2,1-3H3,(H,27,29)/t18?,19?,20-/m0/s1
InChIKeyFPGLBAPVKPKPJK-MHJFOBGBSA-N
MW454.64 g/mol
LogP4.72
Rot. Bonds5

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 166350421) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID166350421
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)C1
InChIInChI=1S/C26H34N2O3S/c1-18-13-19(2)17-28(16-18)32(30,31)25-10-6-9-24(15-25)26(29)27-20(3)22-12-11-21-7-4-5-8-23(21)14-22/h6,9-12,14-15,18-20H,4-5,7-8,13,16-17H2,1-3H3,(H,27,29)/t18?,19?,20-/m0/s1
InChIKeyFPGLBAPVKPKPJK-MHJFOBGBSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide with MolForge

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Related Compounds

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CID 2941760
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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 166350421) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is FPGLBAPVKPKPJK-MHJFOBGBSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-18-13-19(2)17-28(16-18)32(30,31)25-10-6-9-24(15-25)26(29)27-20(3)22-12-11-21-7-4-5-8-23(21)14-22/h6,9-12,14-15,18-20H,4-5,7-8,13,16-17H2,1-3H3,(H,27,29)/t18?,19?,20-/m0/s1.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 454.64 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 166350421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).