N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

C16H12F2N2OS — CID 4608475

IUPACN-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2OS/c17-10-5-6-14(12(18)7-10)20-16(21)9-22-15-8-19-13-4-2-1-3-11(13)15/h1-8,19H,9H2,(H,20,21)
InChIKeyVZGWKYURYATOCU-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.18
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (PubChem CID 4608475) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
PubChem CID4608475
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC NameN-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2OS/c17-10-5-6-14(12(18)7-10)20-16(21)9-22-15-8-19-13-4-2-1-3-11(13)15/h1-8,19H,9H2,(H,20,21)
InChIKeyVZGWKYURYATOCU-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(2,5-difluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636223
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20864343
N-(4-bromo-2-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135710173
methyl 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937691
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (CID 4608475) is N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is O=C(CSc1c[nH]c2ccccc12)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The InChIKey is VZGWKYURYATOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c17-10-5-6-14(12(18)7-10)20-16(21)9-22-15-8-19-13-4-2-1-3-11(13)15/h1-8,19H,9H2,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 4608475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).