2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

C17H26N2OS — CID 35528661

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H26N2OS/c1-4-19-9-7-15(8-10-19)18-17(20)12-21-16-6-5-13(2)11-14(16)3/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyNGAQGMHWFPMRQN-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.00
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 35528661) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID35528661
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H26N2OS/c1-4-19-9-7-15(8-10-19)18-17(20)12-21-16-6-5-13(2)11-14(16)3/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyNGAQGMHWFPMRQN-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-methylacetamide
CID 32522403
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56568902
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)acetamide
CID 9264428
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959675
2-(4-bromo-2-methylphenyl)sulfanyl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 39999661
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 8786852
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
N-(1-ethylpiperidin-4-yl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41377904

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (CID 35528661) is 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2ccc(C)cc2C)CC1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is NGAQGMHWFPMRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-19-9-7-15(8-10-19)18-17(20)12-21-16-6-5-13(2)11-14(16)3/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 306.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 35528661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).