N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide

C16H19N3O3S — CID 33295230

IUPACN-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCCn1ccnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-7-19-8-6-17-16(19)23-10-15(22)12-4-5-14(21)13(9-12)18-11(2)20/h4-6,8-9,21H,3,7,10H2,1-2H3,(H,18,20)
InChIKeyVSEPWOJYYQDOTF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.93
Rot. Bonds7

About N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide

N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 33295230) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID33295230
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCCn1ccnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-7-19-8-6-17-16(19)23-10-15(22)12-4-5-14(21)13(9-12)18-11(2)20/h4-6,8-9,21H,3,7,10H2,1-2H3,(H,18,20)
InChIKeyVSEPWOJYYQDOTF-UHFFFAOYSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]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-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9473869
1-(1,3-benzodioxol-5-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 51113568
N-[5-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9381597
N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
CID 17411757
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 25372320
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 8005893
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 18085661
6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 17469430
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide (CID 33295230) is N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide is CCCn1ccnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1.
What is the InChIKey of N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is VSEPWOJYYQDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-7-19-8-6-17-16(19)23-10-15(22)12-4-5-14(21)13(9-12)18-11(2)20/h4-6,8-9,21H,3,7,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide?
N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 33295230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).