N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide

C20H24N2O2S — CID 50947230

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-22-13-11-17(12-14-22)24-16-9-7-15(8-10-16)21-20(23)18-5-3-4-6-19(18)25-2/h3-10,17H,11-14H2,1-2H3,(H,21,23)
InChIKeyKUJYRTHGSWKGLF-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.13
Rot. Bonds5

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide (PubChem CID 50947230) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide
PubChem CID50947230
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-22-13-11-17(12-14-22)24-16-9-7-15(8-10-16)21-20(23)18-5-3-4-6-19(18)25-2/h3-10,17H,11-14H2,1-2H3,(H,21,23)
InChIKeyKUJYRTHGSWKGLF-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide (CID 50947230) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide?
The InChIKey is KUJYRTHGSWKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-22-13-11-17(12-14-22)24-16-9-7-15(8-10-16)21-20(23)18-5-3-4-6-19(18)25-2/h3-10,17H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 50947230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).