2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide

C24H21N3O2S — CID 2939528

IUPAC2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-29-19-14-12-17(13-15-19)23-20-10-6-7-11-21(20)24(27-26-23)30-16-22(28)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyIKPRWUPOIQWIMQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.43
Rot. Bonds7

About 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide

2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide (PubChem CID 2939528) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
PubChem CID2939528
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-29-19-14-12-17(13-15-19)23-20-10-6-7-11-21(20)24(27-26-23)30-16-22(28)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyIKPRWUPOIQWIMQ-UHFFFAOYSA-N
XLogP5.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 71671134
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
N-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 24567628
N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide
CID 6409351
methyl 2-[4-(2-anilino-2-oxoethyl)sulfanylphthalazin-1-yl]acetate
CID 6407158
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
N-(4-ethoxyphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150619
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 6415024
N-(4-ethoxyphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101069
N-(4-ethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287991
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-phenylbenzamide
CID 18553037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide (CID 2939528) is 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide is CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide?
The InChIKey is IKPRWUPOIQWIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-2-29-19-14-12-17(13-15-19)23-20-10-6-7-11-21(20)24(27-26-23)30-16-22(28)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28).
What are the key properties of 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide?
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide has a molecular weight of 415.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2939528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).