3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide

C16H23FN2OS — CID 120555733

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NC1CCNCC1C
InChIInChI=1S/C16H23FN2OS/c1-11-9-18-8-7-15(11)19-16(20)12(2)10-21-14-5-3-13(17)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyRVIMYERUEQYWNI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.67
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide

3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120555733) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120555733
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NC1CCNCC1C
InChIInChI=1S/C16H23FN2OS/c1-11-9-18-8-7-15(11)19-16(20)12(2)10-21-14-5-3-13(17)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyRVIMYERUEQYWNI-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
Acetamide, 2-(phenylthio)-N-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 894785
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
N-(1-isopropyl-2-methylpropyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1796074
N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide
CID 2914447
2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 24979288
2-((2,4-Difluorophenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide
CID 557619
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
N-cyclohexyl-2-(phenylsulfanyl)acetamide
CID 875390
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4846003
N-cyclopropyl-1'-[(phenylthio)acetyl]-1,4'-bipiperidine-4-carboxamide
CID 16190808

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide (CID 120555733) is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide is CC(CSc1ccc(F)cc1)C(=O)NC1CCNCC1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is RVIMYERUEQYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-11-9-18-8-7-15(11)19-16(20)12(2)10-21-14-5-3-13(17)4-6-14/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide?
3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120555733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).