N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide

C22H18F3N3OS — CID 18005064

IUPACN-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1cc2c(cc1C(F)(F)F)NCC2)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H18F3N3OS/c23-22(24,25)18-10-19-15(6-7-27-19)9-20(18)30-13-21(29)28-17-8-16(11-26-12-17)14-4-2-1-3-5-14/h1-5,8-12,27H,6-7,13H2,(H,28,29)
InChIKeyPMWVANZUSHOHLE-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.47
Rot. Bonds5

About N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide

N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide (PubChem CID 18005064) has the molecular formula C22H18F3N3OS and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide
PubChem CID18005064
Molecular FormulaC22H18F3N3OS
Molecular Weight429.47 g/mol
Exact Mass429.11
IUPAC NameN-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1cc2c(cc1C(F)(F)F)NCC2)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H18F3N3OS/c23-22(24,25)18-10-19-15(6-7-27-19)9-20(18)30-13-21(29)28-17-8-16(11-26-12-17)14-4-2-1-3-5-14/h1-5,8-12,27H,6-7,13H2,(H,28,29)
InChIKeyPMWVANZUSHOHLE-UHFFFAOYSA-N
XLogP5.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide (CID 18005064) is N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide is O=C(CSc1cc2c(cc1C(F)(F)F)NCC2)Nc1cncc(-c2ccccc2)c1.
What is the InChIKey of N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide?
The InChIKey is PMWVANZUSHOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3OS/c23-22(24,25)18-10-19-15(6-7-27-19)9-20(18)30-13-21(29)28-17-8-16(11-26-12-17)14-4-2-1-3-5-14/h1-5,8-12,27H,6-7,13H2,(H,28,29).
What are the key properties of N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide?
N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide has a molecular weight of 429.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-indol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 18005064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).