N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide

C24H21FN2O2S — CID 4103692

IUPACN-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H21FN2O2S/c1-29-21-9-5-3-7-19(21)24(28)26-14-15-30-23-18-6-2-4-8-20(18)27-22(23)16-10-12-17(25)13-11-16/h2-13,27H,14-15H2,1H3,(H,26,28)
InChIKeyYGNGYPPOVGQJFM-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.50
Rot. Bonds7

About N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide

N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide (PubChem CID 4103692) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
PubChem CID4103692
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC NameN-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H21FN2O2S/c1-29-21-9-5-3-7-19(21)24(28)26-14-15-30-23-18-6-2-4-8-20(18)27-22(23)16-10-12-17(25)13-11-16/h2-13,27H,14-15H2,1H3,(H,26,28)
InChIKeyYGNGYPPOVGQJFM-UHFFFAOYSA-N
XLogP5.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 3370297
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
5-chloro-2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4090408
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2,4-dimethoxybenzamide
CID 5082570
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide
CID 3513264
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
3-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4282547
2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
CID 3468049
2-iodo-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4139803
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 5183643
N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4-dimethylbenzamide
CID 3564325

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide (CID 4103692) is N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The InChIKey is YGNGYPPOVGQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-29-21-9-5-3-7-19(21)24(28)26-14-15-30-23-18-6-2-4-8-20(18)27-22(23)16-10-12-17(25)13-11-16/h2-13,27H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide?
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide has a molecular weight of 420.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).