3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide

C17H17NO2S2 — CID 52556210

IUPAC3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccco1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H17NO2S2/c19-17(8-7-14-4-1-9-20-14)18(12-15-5-2-10-21-15)13-16-6-3-11-22-16/h1-6,9-11H,7-8,12-13H2
InChIKeyFAGQFVJUWCEOFE-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.56
Rot. Bonds7

About 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide

3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide (PubChem CID 52556210) has the molecular formula C17H17NO2S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
PubChem CID52556210
Molecular FormulaC17H17NO2S2
Molecular Weight331.46 g/mol
Exact Mass331.07
IUPAC Name3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1ccco1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H17NO2S2/c19-17(8-7-14-4-1-9-20-14)18(12-15-5-2-10-21-15)13-16-6-3-11-22-16/h1-6,9-11H,7-8,12-13H2
InChIKeyFAGQFVJUWCEOFE-UHFFFAOYSA-N
XLogP4.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
3-(3-bromo-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 31836568
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 31836258
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 18090196
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
N-(furan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 31836776
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide (CID 52556210) is 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide is O=C(CCc1ccco1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The InChIKey is FAGQFVJUWCEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S2/c19-17(8-7-14-4-1-9-20-14)18(12-15-5-2-10-21-15)13-16-6-3-11-22-16/h1-6,9-11H,7-8,12-13H2.
What are the key properties of 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 52556210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).