N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C16H23NO2S — CID 114631067

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-11-4-6-12(7-5-11)9-20-10-15(19)17-13-8-14(18)16(13,2)3/h4-7,13-14,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyJRFJWIVMRFFACB-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 114631067) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID114631067
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H23NO2S/c1-11-4-6-12(7-5-11)9-20-10-15(19)17-13-8-14(18)16(13,2)3/h4-7,13-14,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyJRFJWIVMRFFACB-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 104957457
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103774302
N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 102560759
N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 113238688
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 62520044
4-[(2-benzylsulfanylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66257200
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630967

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 114631067) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is JRFJWIVMRFFACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11-4-6-12(7-5-11)9-20-10-15(19)17-13-8-14(18)16(13,2)3/h4-7,13-14,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 114631067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).