2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide

C18H23N3O2S — CID 111463207

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCC2(O)CCC2)c1C
InChIInChI=1S/C18H23N3O2S/c1-13-5-3-6-15(14(13)2)21-10-9-19-17(21)24-11-16(22)20-12-18(23)7-4-8-18/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKZHRLYNCJXWFIG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.61
Rot. Bonds6

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111463207) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111463207
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCC2(O)CCC2)c1C
InChIInChI=1S/C18H23N3O2S/c1-13-5-3-6-15(14(13)2)21-10-9-19-17(21)24-11-16(22)20-12-18(23)7-4-8-18/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKZHRLYNCJXWFIG-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 40669211
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 55653220
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41250637
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 33077261
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111463207) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide is Cc1cccc(-n2ccnc2SCC(=O)NCC2(O)CCC2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is KZHRLYNCJXWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-5-3-6-15(14(13)2)21-10-9-19-17(21)24-11-16(22)20-12-18(23)7-4-8-18/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111463207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).