N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide

C17H15N3O2S — CID 122133610

IUPACN-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O2S/c21-16(12-4-2-1-3-5-12)10-23-11-17(22)19-14-7-6-13-9-18-20-15(13)8-14/h1-9H,10-11H2,(H,18,20)(H,19,22)
InChIKeyIWZSWRYPRZQSIH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.12
Rot. Bonds6

About N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide

N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide (PubChem CID 122133610) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide
PubChem CID122133610
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O2S/c21-16(12-4-2-1-3-5-12)10-23-11-17(22)19-14-7-6-13-9-18-20-15(13)8-14/h1-9H,10-11H2,(H,18,20)(H,19,22)
InChIKeyIWZSWRYPRZQSIH-UHFFFAOYSA-N
XLogP3.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
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N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
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2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
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3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide (CID 122133610) is N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide is O=C(CSCC(=O)c1ccccc1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide?
The InChIKey is IWZSWRYPRZQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(12-4-2-1-3-5-12)10-23-11-17(22)19-14-7-6-13-9-18-20-15(13)8-14/h1-9H,10-11H2,(H,18,20)(H,19,22).
What are the key properties of N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide?
N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 122133610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).