1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C23H17N5OS — CID 3571139

IUPAC1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N5OS/c29-21(19-15-24-20-14-8-7-13-18(19)20)22(16-9-3-1-4-10-16)30-23-25-26-27-28(23)17-11-5-2-6-12-17/h1-15,22,24H
InChIKeyAFSPJGKFYCZBKT-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.86
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 3571139) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID3571139
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N5OS/c29-21(19-15-24-20-14-8-7-13-18(19)20)22(16-9-3-1-4-10-16)30-23-25-26-27-28(23)17-11-5-2-6-12-17/h1-15,22,24H
InChIKeyAFSPJGKFYCZBKT-UHFFFAOYSA-N
XLogP4.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone
CID 15945263
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 25354706
(2S)-1-(1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethanone
CID 2454662
1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4006173
(2S)-1,2-bis(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7865405
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1H-indol-3-yl)-2-phenylethanone
CID 42915336
1-(1H-indol-3-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethanone
CID 5197176
1-(1H-indol-3-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethanone
CID 3988594
1-(1H-indol-3-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2078186
(2R)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7877799

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 3571139) is 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(c1c[nH]c2ccccc12)C(Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is AFSPJGKFYCZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-21(19-15-24-20-14-8-7-13-18(19)20)22(16-9-3-1-4-10-16)30-23-25-26-27-28(23)17-11-5-2-6-12-17/h1-15,22,24H.
What are the key properties of 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 411.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 3571139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).