4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

C21H26N2O3S — CID 7536036

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-16-12-14-23(15-13-16)27(25,26)20-10-8-19(9-11-20)21(24)22-17(2)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyIQGMOKWSFHWYAF-QGZVFWFLSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 7536036) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID7536036
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-16-12-14-23(15-13-16)27(25,26)20-10-8-19(9-11-20)21(24)22-17(2)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyIQGMOKWSFHWYAF-QGZVFWFLSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 46349317
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906
(2R,3S)-3-hydroxy-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 9439318
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 43918790
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 45354544
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679666
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (CID 7536036) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is IQGMOKWSFHWYAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-12-14-23(15-13-16)27(25,26)20-10-8-19(9-11-20)21(24)22-17(2)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 7536036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).