1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone

C24H19N5OS — CID 15945263

IUPAC1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone
SMILESCc1ccc(-n2nnnc2SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H19N5OS/c1-16-11-13-18(14-12-16)29-24(26-27-28-29)31-23(17-7-3-2-4-8-17)22(30)20-15-25-21-10-6-5-9-19(20)21/h2-15,23,25H,1H3
InChIKeyPWJWHVAZLXMVNG-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.17
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone

1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone (PubChem CID 15945263) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone
PubChem CID15945263
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone
SMILESCc1ccc(-n2nnnc2SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H19N5OS/c1-16-11-13-18(14-12-16)29-24(26-27-28-29)31-23(17-7-3-2-4-8-17)22(30)20-15-25-21-10-6-5-9-19(20)21/h2-15,23,25H,1H3
InChIKeyPWJWHVAZLXMVNG-UHFFFAOYSA-N
XLogP5.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-indol-3-yl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 3571139
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
(2S)-1,2-bis(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7865405
(2S)-1-(1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethanone
CID 2454662
(2R)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7877799
(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
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 4988401
1-(1H-indol-3-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethanone
CID 3988594
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407831
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)ethanone
CID 7661487
1-(1H-indol-3-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethanone
CID 5197176

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone (CID 15945263) is 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone is Cc1ccc(-n2nnnc2SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone?
The InChIKey is PWJWHVAZLXMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16-11-13-18(14-12-16)29-24(26-27-28-29)31-23(17-7-3-2-4-8-17)22(30)20-15-25-21-10-6-5-9-19(20)21/h2-15,23,25H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone?
1-(1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone has a molecular weight of 425.52 g/mol, XLogP of 5.17, 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-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylethanone is sourced from PubChem (CID 15945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).