N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide

C21H22FNO2S — CID 4553376

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCC(=O)N(CCC(c1ccc(F)cc1)c1ccco1)Cc1cccs1
InChIInChI=1S/C21H22FNO2S/c1-2-21(24)23(15-18-5-4-14-26-18)12-11-19(20-6-3-13-25-20)16-7-9-17(22)10-8-16/h3-10,13-14,19H,2,11-12,15H2,1H3
InChIKeyFHGIHLKXTMJLCQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.44
Rot. Bonds8

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4553376) has the molecular formula C21H22FNO2S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4553376
Molecular FormulaC21H22FNO2S
Molecular Weight371.48 g/mol
Exact Mass371.14
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCC(=O)N(CCC(c1ccc(F)cc1)c1ccco1)Cc1cccs1
InChIInChI=1S/C21H22FNO2S/c1-2-21(24)23(15-18-5-4-14-26-18)12-11-19(20-6-3-13-25-20)16-7-9-17(22)10-8-16/h3-10,13-14,19H,2,11-12,15H2,1H3
InChIKeyFHGIHLKXTMJLCQ-UHFFFAOYSA-N
XLogP5.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide (CID 4553376) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide is CCC(=O)N(CCC(c1ccc(F)cc1)c1ccco1)Cc1cccs1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FHGIHLKXTMJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2S/c1-2-21(24)23(15-18-5-4-14-26-18)12-11-19(20-6-3-13-25-20)16-7-9-17(22)10-8-16/h3-10,13-14,19H,2,11-12,15H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4553376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).