N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C17H25NOS — CID 47005023

IUPACN-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NOS/c1-13-3-7-15(8-4-13)11-20-12-17(19)18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3,(H,18,19)
InChIKeyQJSXNEOETWCPDS-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.92
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 47005023) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID47005023
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NOS/c1-13-3-7-15(8-4-13)11-20-12-17(19)18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3,(H,18,19)
InChIKeyQJSXNEOETWCPDS-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 104957457
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 134017008
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773294
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773068
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103774302
2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 53278905
N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 102560759
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233465

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 47005023) is N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is QJSXNEOETWCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13-3-7-15(8-4-13)11-20-12-17(19)18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 291.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 47005023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).