N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 9302186

IUPACN-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESC[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(18-9-4-2-5-10-18)16-22-21(24)19-11-8-12-20(15-19)27(25,26)23-13-6-3-7-14-23/h2,4-5,8-12,15,17H,3,6-7,13-14,16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXTGIVSPVDGGLFP-QGZVFWFLSA-N
MW386.52 g/mol
LogP3.39
Rot. Bonds6

About N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide

N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 9302186) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID9302186
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESC[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(18-9-4-2-5-10-18)16-22-21(24)19-11-8-12-20(15-19)27(25,26)23-13-6-3-7-14-23/h2,4-5,8-12,15,17H,3,6-7,13-14,16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXTGIVSPVDGGLFP-QGZVFWFLSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide (CID 9302186) is N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide is C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XTGIVSPVDGGLFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17(18-9-4-2-5-10-18)16-22-21(24)19-11-8-12-20(15-19)27(25,26)23-13-6-3-7-14-23/h2,4-5,8-12,15,17H,3,6-7,13-14,16H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9302186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).