N-hex-5-ynylthiophene-2-carboxamide

C11H13NOS — CID 103758137

IUPACN-hex-5-ynylthiophene-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-2-3-4-5-8-12-11(13)10-7-6-9-14-10/h1,6-7,9H,3-5,8H2,(H,12,13)
InChIKeyLTGQMVKYUDPWQD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.28
Rot. Bonds5

About N-hex-5-ynylthiophene-2-carboxamide

N-hex-5-ynylthiophene-2-carboxamide (PubChem CID 103758137) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-hex-5-ynylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynylthiophene-2-carboxamide
PubChem CID103758137
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-hex-5-ynylthiophene-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-2-3-4-5-8-12-11(13)10-7-6-9-14-10/h1,6-7,9H,3-5,8H2,(H,12,13)
InChIKeyLTGQMVKYUDPWQD-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.28
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

5-bromo-N-hex-5-ynylthiophene-2-carboxamide
CID 103757974
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
5-(hex-5-ynylcarbamoyl)thiophene-2-carboxylic acid
CID 106216658
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylthiophene-2-carboxamide?
The IUPAC name of N-hex-5-ynylthiophene-2-carboxamide (CID 103758137) is N-hex-5-ynylthiophene-2-carboxamide.
What is the SMILES notation for N-hex-5-ynylthiophene-2-carboxamide?
The canonical SMILES for N-hex-5-ynylthiophene-2-carboxamide is C#CCCCCNC(=O)c1cccs1.
What is the InChIKey of N-hex-5-ynylthiophene-2-carboxamide?
The InChIKey is LTGQMVKYUDPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-3-4-5-8-12-11(13)10-7-6-9-14-10/h1,6-7,9H,3-5,8H2,(H,12,13).
What are the key properties of N-hex-5-ynylthiophene-2-carboxamide?
N-hex-5-ynylthiophene-2-carboxamide has a molecular weight of 207.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylthiophene-2-carboxamide is sourced from PubChem (CID 103758137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).