N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

C24H20F2N2OS — CID 4547440

IUPACN-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1
InChIInChI=1S/C24H20F2N2OS/c1-16-6-8-17(9-7-16)13-28-14-23(19-4-2-3-5-22(19)28)30-15-24(29)27-21-11-10-18(25)12-20(21)26/h2-12,14H,13,15H2,1H3,(H,27,29)
InChIKeyNITPIGHBKJQQFP-UHFFFAOYSA-N
MW422.50 g/mol
LogP6.01
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 4547440) has the molecular formula C24H20F2N2OS and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID4547440
Molecular FormulaC24H20F2N2OS
Molecular Weight422.50 g/mol
Exact Mass422.13
IUPAC NameN-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1
InChIInChI=1S/C24H20F2N2OS/c1-16-6-8-17(9-7-16)13-28-14-23(19-4-2-3-5-22(19)28)30-15-24(29)27-21-11-10-18(25)12-20(21)26/h2-12,14H,13,15H2,1H3,(H,27,29)
InChIKeyNITPIGHBKJQQFP-UHFFFAOYSA-N
XLogP6.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (CID 4547440) is N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is Cc1ccc(Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is NITPIGHBKJQQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2OS/c1-16-6-8-17(9-7-16)13-28-14-23(19-4-2-3-5-22(19)28)30-15-24(29)27-21-11-10-18(25)12-20(21)26/h2-12,14H,13,15H2,1H3,(H,27,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 422.50 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 4547440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).