N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide

C17H18BrNO2S — CID 9108866

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrNO2S/c1-19(10-15-7-8-16(18)22-15)17(20)11-21-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3
InChIKeyWZEVAWBWMXQNDF-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.04
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide (PubChem CID 9108866) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
PubChem CID9108866
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrNO2S/c1-19(10-15-7-8-16(18)22-15)17(20)11-21-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3
InChIKeyWZEVAWBWMXQNDF-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 31278501
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512409
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 112792294
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 78792249
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616404
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide (CID 9108866) is N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide is CN(Cc1ccc(Br)s1)C(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide?
The InChIKey is WZEVAWBWMXQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-19(10-15-7-8-16(18)22-15)17(20)11-21-14-6-5-12-3-2-4-13(12)9-14/h5-9H,2-4,10-11H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide has a molecular weight of 380.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide is sourced from PubChem (CID 9108866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).