N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

C18H16BrNO2S — CID 9107441

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1cccs1
InChIInChI=1S/C18H16BrNO2S/c1-20(18(21)11-16-3-2-10-23-16)12-15-8-9-17(22-15)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3
InChIKeySNZUTHNSVBLMFC-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.97
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 9107441) has the molecular formula C18H16BrNO2S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID9107441
Molecular FormulaC18H16BrNO2S
Molecular Weight390.30 g/mol
Exact Mass389.01
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1cccs1
InChIInChI=1S/C18H16BrNO2S/c1-20(18(21)11-16-3-2-10-23-16)12-15-8-9-17(22-15)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3
InChIKeySNZUTHNSVBLMFC-UHFFFAOYSA-N
XLogP4.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9092219
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 18229282
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680241
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 134049303
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (CID 9107441) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1cccs1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is SNZUTHNSVBLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2S/c1-20(18(21)11-16-3-2-10-23-16)12-15-8-9-17(22-15)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 390.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 9107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).