2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide

C11H11Br2NOS — CID 103757999

IUPAC2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
SMILESC#CCCCCNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NOS/c1-2-3-4-5-6-14-11(15)8-7-9(12)16-10(8)13/h1,7H,3-6H2,(H,14,15)
InChIKeyQLZPBEGMVREQIJ-UHFFFAOYSA-N
MW365.09 g/mol
LogP3.81
Rot. Bonds5

About 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide

2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide (PubChem CID 103757999) has the molecular formula C11H11Br2NOS and a molecular weight of 365.09 g/mol. Its IUPAC name is 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
PubChem CID103757999
Molecular FormulaC11H11Br2NOS
Molecular Weight365.09 g/mol
Exact Mass362.89
IUPAC Name2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
SMILESC#CCCCCNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NOS/c1-2-3-4-5-6-14-11(15)8-7-9(12)16-10(8)13/h1,7H,3-6H2,(H,14,15)
InChIKeyQLZPBEGMVREQIJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 103839434
5-bromo-N-hex-5-ynylthiophene-2-carboxamide
CID 103757974
4-bromo-N-hex-5-ynyl-2-sulfanylbenzamide
CID 106212646
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-3-carboxamide
CID 113264618
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide (CID 103757999) is 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide is C#CCCCCNC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide?
The InChIKey is QLZPBEGMVREQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NOS/c1-2-3-4-5-6-14-11(15)8-7-9(12)16-10(8)13/h1,7H,3-6H2,(H,14,15).
What are the key properties of 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide?
2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide has a molecular weight of 365.09 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide is sourced from PubChem (CID 103757999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).