N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C17H25NO2S — CID 62520044

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2(CO)CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-14-5-7-15(8-6-14)11-21-12-16(20)18-17(13-19)9-3-2-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyNPMQNLPZZSNQLR-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 62520044) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID62520044
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2(CO)CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-14-5-7-15(8-6-14)11-21-12-16(20)18-17(13-19)9-3-2-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyNPMQNLPZZSNQLR-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 62520044) is N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2(CO)CCCCC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is NPMQNLPZZSNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-14-5-7-15(8-6-14)11-21-12-16(20)18-17(13-19)9-3-2-4-10-17/h5-8,19H,2-4,9-13H2,1H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 62520044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).