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

C19H19FN2OS — CID 30284044

IUPAC3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19FN2OS/c20-15-5-7-16(8-6-15)24-12-10-19(23)21-11-9-14-13-22-18-4-2-1-3-17(14)18/h1-8,13,22H,9-12H2,(H,21,23)
InChIKeyCVUUUHPWWNJETF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.15
Rot. Bonds7

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

3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 30284044) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID30284044
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19FN2OS/c20-15-5-7-16(8-6-15)24-12-10-19(23)21-11-9-14-13-22-18-4-2-1-3-17(14)18/h1-8,13,22H,9-12H2,(H,21,23)
InChIKeyCVUUUHPWWNJETF-UHFFFAOYSA-N
XLogP4.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119824
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 30284044) is 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCSc1ccc(F)cc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is CVUUUHPWWNJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-15-5-7-16(8-6-15)24-12-10-19(23)21-11-9-14-13-22-18-4-2-1-3-17(14)18/h1-8,13,22H,9-12H2,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 30284044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).