N-but-3-ynyl-5-iodothiophene-3-carboxamide

C9H8INOS — CID 78960026

IUPACN-but-3-ynyl-5-iodothiophene-3-carboxamide
SMILESC#CCCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H8INOS/c1-2-3-4-11-9(12)7-5-8(10)13-6-7/h1,5-6H,3-4H2,(H,11,12)
InChIKeyCCUAKYNDEDSTBA-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.11
Rot. Bonds3

About N-but-3-ynyl-5-iodothiophene-3-carboxamide

N-but-3-ynyl-5-iodothiophene-3-carboxamide (PubChem CID 78960026) has the molecular formula C9H8INOS and a molecular weight of 305.14 g/mol. Its IUPAC name is N-but-3-ynyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-5-iodothiophene-3-carboxamide
PubChem CID78960026
Molecular FormulaC9H8INOS
Molecular Weight305.14 g/mol
Exact Mass304.94
IUPAC NameN-but-3-ynyl-5-iodothiophene-3-carboxamide
SMILESC#CCCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H8INOS/c1-2-3-4-11-9(12)7-5-8(10)13-6-7/h1,5-6H,3-4H2,(H,11,12)
InChIKeyCCUAKYNDEDSTBA-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(2-sulfamoylethyl)thiophene-3-carboxamide
CID 78950626
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
CID 115618086
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
CID 103855719

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-but-3-ynyl-5-iodothiophene-3-carboxamide (CID 78960026) is N-but-3-ynyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-but-3-ynyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-but-3-ynyl-5-iodothiophene-3-carboxamide is C#CCCNC(=O)c1csc(I)c1.
What is the InChIKey of N-but-3-ynyl-5-iodothiophene-3-carboxamide?
The InChIKey is CCUAKYNDEDSTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS/c1-2-3-4-11-9(12)7-5-8(10)13-6-7/h1,5-6H,3-4H2,(H,11,12).
What are the key properties of N-but-3-ynyl-5-iodothiophene-3-carboxamide?
N-but-3-ynyl-5-iodothiophene-3-carboxamide has a molecular weight of 305.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78960026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).