N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide

C21H23NO2S — CID 5025909

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1cccs1
InChIInChI=1S/C21H23NO2S/c1-2-21(23)22(16-18-10-7-15-25-18)13-12-19(20-11-6-14-24-20)17-8-4-3-5-9-17/h3-11,14-15,19H,2,12-13,16H2,1H3
InChIKeyBTYXSRHXMLWYOT-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.30
Rot. Bonds8

About N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide

N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5025909) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5025909
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1cccs1
InChIInChI=1S/C21H23NO2S/c1-2-21(23)22(16-18-10-7-15-25-18)13-12-19(20-11-6-14-24-20)17-8-4-3-5-9-17/h3-11,14-15,19H,2,12-13,16H2,1H3
InChIKeyBTYXSRHXMLWYOT-UHFFFAOYSA-N
XLogP5.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide (CID 5025909) is N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide is CCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1cccs1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is BTYXSRHXMLWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-2-21(23)22(16-18-10-7-15-25-18)13-12-19(20-11-6-14-24-20)17-8-4-3-5-9-17/h3-11,14-15,19H,2,12-13,16H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide?
N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 353.49 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).