N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide

C17H25NO2S — CID 98364272

IUPACN-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)c(CSCC(=O)NC2CCOCC2)c(C)c1
InChIInChI=1S/C17H25NO2S/c1-12-8-13(2)16(14(3)9-12)10-21-11-17(19)18-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyUVDCKOJXMFWBNI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.14
Rot. Bonds5

About N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide

N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide (PubChem CID 98364272) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide
PubChem CID98364272
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)c(CSCC(=O)NC2CCOCC2)c(C)c1
InChIInChI=1S/C17H25NO2S/c1-12-8-13(2)16(14(3)9-12)10-21-11-17(19)18-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyUVDCKOJXMFWBNI-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8025269
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66225169
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-(oxolan-3-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 86780877
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95207800
N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
CID 50793191

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide (CID 98364272) is N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide is Cc1cc(C)c(CSCC(=O)NC2CCOCC2)c(C)c1.
What is the InChIKey of N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is UVDCKOJXMFWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-8-13(2)16(14(3)9-12)10-21-11-17(19)18-15-4-6-20-7-5-15/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide?
N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 98364272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).