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

C29H25FN2O2S — CID 3468049

IUPAC2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C29H25FN2O2S/c1-2-34-25-16-13-19-7-3-4-8-22(19)26(25)29(33)31-17-18-35-28-23-9-5-6-10-24(23)32-27(28)20-11-14-21(30)15-12-20/h3-16,32H,2,17-18H2,1H3,(H,31,33)
InChIKeyFCMYSPBSHACWGI-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.05
Rot. Bonds8

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

2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide (PubChem CID 3468049) has the molecular formula C29H25FN2O2S and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
PubChem CID3468049
Molecular FormulaC29H25FN2O2S
Molecular Weight484.60 g/mol
Exact Mass484.16
IUPAC Name2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C29H25FN2O2S/c1-2-34-25-16-13-19-7-3-4-8-22(19)26(25)29(33)31-17-18-35-28-23-9-5-6-10-24(23)32-27(28)20-11-14-21(30)15-12-20/h3-16,32H,2,17-18H2,1H3,(H,31,33)
InChIKeyFCMYSPBSHACWGI-UHFFFAOYSA-N
XLogP7.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.05
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-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 4103692
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 5183643
3-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4282547
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 3336028
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 3370297
4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
4-butoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4054289
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
3-(2-chlorophenyl)-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3281972
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
2-(3,4-dimethoxyphenyl)-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 2156544

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide (CID 3468049) is 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide?
The InChIKey is FCMYSPBSHACWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O2S/c1-2-34-25-16-13-19-7-3-4-8-22(19)26(25)29(33)31-17-18-35-28-23-9-5-6-10-24(23)32-27(28)20-11-14-21(30)15-12-20/h3-16,32H,2,17-18H2,1H3,(H,31,33).
What are the key properties of 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3468049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).