2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

C15H18N2O2S — CID 111445375

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-8-12-2-4-13(5-3-12)9-20-10-14(18)17-11-15(19)6-1-7-15/h2-5,19H,1,6-7,9-11H2,(H,17,18)
InChIKeyLZQIGEHVNMOCFJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.82
Rot. Bonds6

About 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide

2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111445375) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111445375
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-8-12-2-4-13(5-3-12)9-20-10-14(18)17-11-15(19)6-1-7-15/h2-5,19H,1,6-7,9-11H2,(H,17,18)
InChIKeyLZQIGEHVNMOCFJ-UHFFFAOYSA-N
XLogP1.82
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111445795
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
2-(cyanomethylsulfanyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65114138
2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
CID 97105800
2-benzylsulfanyl-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
CID 97105801
2-[(4-cyanophenyl)methylsulfanyl]-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380738
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55753204
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55741154
2-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111445375) is 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is N#Cc1ccc(CSCC(=O)NCC2(O)CCC2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is LZQIGEHVNMOCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-8-12-2-4-13(5-3-12)9-20-10-14(18)17-11-15(19)6-1-7-15/h2-5,19H,1,6-7,9-11H2,(H,17,18).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111445375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).