N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C12H13N3O2S — CID 581967

IUPACN-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13N3O2S/c1-15-6-5-13-12(15)18-8-11(17)14-9-3-2-4-10(16)7-9/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyPMIDAJNWTNPHSZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.86
Rot. Bonds4

About N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 581967) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID581967
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13N3O2S/c1-15-6-5-13-12(15)18-8-11(17)14-9-3-2-4-10(16)7-9/h2-7,16H,8H2,1H3,(H,14,17)
InChIKeyPMIDAJNWTNPHSZ-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
N-(3-butoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3855458
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24620396
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 23987303

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 581967) is N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is PMIDAJNWTNPHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15-6-5-13-12(15)18-8-11(17)14-9-3-2-4-10(16)7-9/h2-7,16H,8H2,1H3,(H,14,17).
What are the key properties of N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 263.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 581967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).