2-(2-Bromoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

HCID 59520523CAS 1001020-10-5

Basic information

Standard SMILES
NC(=O)c1c(NC(=O)CBr)sc2c1CCCC2
InChIKey
ITHFJIMYHSRWDA-UHFFFAOYSA-N
Molecular formula
C11H13BrN2O2S
Average molar mass
317.2 g/mol
Monoisotopic mass
315.98811076

Names & identifiers

Preferred name
2-(2-Bromoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
IUPAC
2-[(2-bromoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Names & synonyms

SCHEMBL3453042ITHFJIMYHSRWDA-UHFFFAOYSA-NDTXSID2011451702-(2-bromoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide1001020-10-52-(2-Bromoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-[(2-Bromoacetyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

Database identifiers

CAS
1001020-10-5
PubChem CID
59520523
DTXSID
DTXSID201145170

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

13 records

Linked notes

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