3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

C21H26N2O3S — CID 109063452

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C21H26N2O3S/c1-16-11-13-23(14-12-16)27(25,26)20-10-6-9-19(15-20)21(24)22-17(2)18-7-4-3-5-8-18/h3-10,15-17H,11-14H2,1-2H3,(H,22,24)
InChIKeyVTDPIYNMDPSMBE-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (PubChem CID 109063452) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
PubChem CID109063452
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C21H26N2O3S/c1-16-11-13-23(14-12-16)27(25,26)20-10-6-9-19(15-20)21(24)22-17(2)18-7-4-3-5-8-18/h3-10,15-17H,11-14H2,1-2H3,(H,22,24)
InChIKeyVTDPIYNMDPSMBE-UHFFFAOYSA-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-[(1R)-1-phenylethyl]benzamide
CID 7536036
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
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
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[1-(4-bromophenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16548256
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (CID 109063452) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)c3ccccc3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The InChIKey is VTDPIYNMDPSMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-11-13-23(14-12-16)27(25,26)20-10-6-9-19(15-20)21(24)22-17(2)18-7-4-3-5-8-18/h3-10,15-17H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-(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 3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 109063452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).