N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H18N4O3S — CID 9325860

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1C
InChIInChI=1S/C18H18N4O3S/c1-10(23)16-15(12-5-3-4-6-13(12)25-16)19-14(24)9-26-18-21-20-17(22(18)2)11-7-8-11/h3-6,11H,7-9H2,1-2H3,(H,19,24)
InChIKeyXSLRKZVJPOAIBJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.37
Rot. Bonds6

About N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9325860) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9325860
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1C
InChIInChI=1S/C18H18N4O3S/c1-10(23)16-15(12-5-3-4-6-13(12)25-16)19-14(24)9-26-18-21-20-17(22(18)2)11-7-8-11/h3-6,11H,7-9H2,1-2H3,(H,19,24)
InChIKeyXSLRKZVJPOAIBJ-UHFFFAOYSA-N
XLogP3.37
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 7426986
N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17415541
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3215004
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 19726752
N-(4-chlorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857472
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 855724
N-(2-acetyl-1-benzofuran-3-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2558246
N-[(4-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5181942
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 7426937
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 17268105
N-[4-(cyanomethyl)phenyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8945580

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9325860) is N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1C.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XSLRKZVJPOAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10(23)16-15(12-5-3-4-6-13(12)25-16)19-14(24)9-26-18-21-20-17(22(18)2)11-7-8-11/h3-6,11H,7-9H2,1-2H3,(H,19,24).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9325860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).