5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide

C16H16BrNO2S — CID 55903273

IUPAC5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1ccc(Br)s1
InChIInChI=1S/C16H16BrNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13-5-4-11-2-1-3-12(11)10-13/h4-7,10H,1-3,8-9H2,(H,18,19)
InChIKeyKCNOGGBHQCWJIC-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.81
Rot. Bonds5

About 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide (PubChem CID 55903273) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
PubChem CID55903273
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1ccc(Br)s1
InChIInChI=1S/C16H16BrNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13-5-4-11-2-1-3-12(11)10-13/h4-7,10H,1-3,8-9H2,(H,18,19)
InChIKeyKCNOGGBHQCWJIC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113101460
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
CID 51088901
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide (CID 55903273) is 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide is O=C(NCCOc1ccc2c(c1)CCC2)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide?
The InChIKey is KCNOGGBHQCWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13-5-4-11-2-1-3-12(11)10-13/h4-7,10H,1-3,8-9H2,(H,18,19).
What are the key properties of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55903273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).