2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

C19H30N2OS — CID 99970899

IUPAC2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)NCCC2CCN(C)CC2)c1
InChIInChI=1S/C19H30N2OS/c1-15-10-16(2)12-18(11-15)13-23-14-19(22)20-7-4-17-5-8-21(3)9-6-17/h10-12,17H,4-9,13-14H2,1-3H3,(H,20,22)
InChIKeyFFQZMEQHHSDKQK-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.38
Rot. Bonds7

About 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (PubChem CID 99970899) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
PubChem CID99970899
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)NCCC2CCN(C)CC2)c1
InChIInChI=1S/C19H30N2OS/c1-15-10-16(2)12-18(11-15)13-23-14-19(22)20-7-4-17-5-8-21(3)9-6-17/h10-12,17H,4-9,13-14H2,1-3H3,(H,20,22)
InChIKeyFFQZMEQHHSDKQK-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126030780
2-(2,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 50947183
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 875236
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95207800
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (CID 99970899) is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is Cc1cc(C)cc(CSCC(=O)NCCC2CCN(C)CC2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is FFQZMEQHHSDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-15-10-16(2)12-18(11-15)13-23-14-19(22)20-7-4-17-5-8-21(3)9-6-17/h10-12,17H,4-9,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 334.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 99970899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).