N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide

C16H16BrNOS — CID 114312817

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2c3ccccc3CC2Br)s1
InChIInChI=1S/C16H16BrNOS/c1-2-11-7-8-14(20-11)16(19)18-15-12-6-4-3-5-10(12)9-13(15)17/h3-8,13,15H,2,9H2,1H3,(H,18,19)
InChIKeyLHFMUDQPOJCGNZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.10
Rot. Bonds3

About N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 114312817) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
PubChem CID114312817
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2c3ccccc3CC2Br)s1
InChIInChI=1S/C16H16BrNOS/c1-2-11-7-8-14(20-11)16(19)18-15-12-6-4-3-5-10(12)9-13(15)17/h3-8,13,15H,2,9H2,1H3,(H,18,19)
InChIKeyLHFMUDQPOJCGNZ-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
CID 61367402
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylthiolane-2-carboxamide
CID 114312888
4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 61367590
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide (CID 114312817) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC2c3ccccc3CC2Br)s1.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is LHFMUDQPOJCGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-2-11-7-8-14(20-11)16(19)18-15-12-6-4-3-5-10(12)9-13(15)17/h3-8,13,15H,2,9H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 350.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 114312817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).