5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide

C12H14BrNOS — CID 1247026

IUPAC5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c1-4-12(5-2,6-3)14-11(15)9-7-8-10(13)16-9/h1,7-8H,5-6H2,2-3H3,(H,14,15)
InChIKeyODTSNMNLAYGUDX-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide

5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide (PubChem CID 1247026) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
PubChem CID1247026
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c1-4-12(5-2,6-3)14-11(15)9-7-8-10(13)16-9/h1,7-8H,5-6H2,2-3H3,(H,14,15)
InChIKeyODTSNMNLAYGUDX-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
4,5-Dibromo-N-isopropylthiophene-2-carboxamide
CID 7534835
5-bromo-N-[(6R)-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiophene-2-carboxamide
CID 89514156
5-bromo-N-(2,7-difluoro-5-methylcyclohepta-1,3,5-trien-1-yl)thiophene-2-carboxamide
CID 123904654
CID 165118400
CID 165118400
N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide
CID 4303274
5-bromo-N-tert-butylthiophene-2-carboxamide
CID 845090
N-allyl-5-bromothiophene-2-carboxamide
CID 4295906
Methyl 2-(5-bromothiophene-2-carboxamido)-2-methylpropanoate
CID 40051558
5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 4186509
5-bromo-N-propylthiophene-2-carboxamide
CID 17148619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide (CID 1247026) is 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide is C#CC(CC)(CC)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide?
The InChIKey is ODTSNMNLAYGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-4-12(5-2,6-3)14-11(15)9-7-8-10(13)16-9/h1,7-8H,5-6H2,2-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide?
5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide has a molecular weight of 300.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1247026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).