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N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide

C22H19FN2OS — CID 17494432

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C22H19FN2OS/c23-17-10-7-15(8-11-17)22(20-6-3-13-27-20)25-21(26)12-9-16-14-24-19-5-2-1-4-18(16)19/h1-8,10-11,13-14,22,24H,9,12H2,(H,25,26)
InChIKeyZMZJAIULURYBLA-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.21
Rot. Bonds6

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

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 17494432) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID17494432
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C22H19FN2OS/c23-17-10-7-15(8-11-17)22(20-6-3-13-27-20)25-21(26)12-9-16-14-24-19-5-2-1-4-18(16)19/h1-8,10-11,13-14,22,24H,9,12H2,(H,25,26)
InChIKeyZMZJAIULURYBLA-UHFFFAOYSA-N
XLogP5.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide (CID 17494432) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is ZMZJAIULURYBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c23-17-10-7-15(8-11-17)22(20-6-3-13-27-20)25-21(26)12-9-16-14-24-19-5-2-1-4-18(16)19/h1-8,10-11,13-14,22,24H,9,12H2,(H,25,26).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 17494432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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