N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide

C20H22N2O3S — CID 46508173

IUPACN-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
SMILESCS(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-26(25)18-9-7-16(8-10-18)20(24)22-13-11-17(12-14-22)21-19(23)15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,21,23)
InChIKeyUMJGEXBYQYWAJC-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide

N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 46508173) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
PubChem CID46508173
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
SMILESCS(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-26(25)18-9-7-16(8-10-18)20(24)22-13-11-17(12-14-22)21-19(23)15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,21,23)
InChIKeyUMJGEXBYQYWAJC-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide (CID 46508173) is N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide is CS(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is UMJGEXBYQYWAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-26(25)18-9-7-16(8-10-18)20(24)22-13-11-17(12-14-22)21-19(23)15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide?
N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46508173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).