3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide

C20H20BrNO2S — CID 72717883

IUPAC3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C20H20BrNO2S/c21-19-8-2-1-5-16(19)9-10-20(23)22(15-17-6-3-13-24-17)12-11-18-7-4-14-25-18/h1-8,13-14H,9-12,15H2
InChIKeyPELGHGGRTBYEKJ-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.31
Rot. Bonds8

About 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide

3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 72717883) has the molecular formula C20H20BrNO2S and a molecular weight of 418.36 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID72717883
Molecular FormulaC20H20BrNO2S
Molecular Weight418.36 g/mol
Exact Mass417.04
IUPAC Name3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C20H20BrNO2S/c21-19-8-2-1-5-16(19)9-10-20(23)22(15-17-6-3-13-24-17)12-11-18-7-4-14-25-18/h1-8,13-14H,9-12,15H2
InChIKeyPELGHGGRTBYEKJ-UHFFFAOYSA-N
XLogP5.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 71798249
2-(2-fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 71781332
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
3-(3-bromo-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 31836568
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495790
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,2-oxazole-5-carboxamide
CID 71781319
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 72717883) is 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is PELGHGGRTBYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO2S/c21-19-8-2-1-5-16(19)9-10-20(23)22(15-17-6-3-13-24-17)12-11-18-7-4-14-25-18/h1-8,13-14H,9-12,15H2.
What are the key properties of 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 418.36 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 72717883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).