N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide

C14H18BrNOS2 — CID 114168829

IUPACN-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C14H18BrNOS2/c1-3-9(4-2)10(15)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyAGQQKSAHYJJCNO-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.89
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide

N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 114168829) has the molecular formula C14H18BrNOS2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID114168829
Molecular FormulaC14H18BrNOS2
Molecular Weight360.34 g/mol
Exact Mass359.00
IUPAC NameN-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C14H18BrNOS2/c1-3-9(4-2)10(15)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyAGQQKSAHYJJCNO-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113258608
N-(2-amino-2-cyclopropylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 115301067
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide (CID 114168829) is N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide is CCC(CC)C(Br)CNC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is AGQQKSAHYJJCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS2/c1-3-9(4-2)10(15)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 114168829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).