5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide

C9H12INO3S2 — CID 78949717

IUPAC5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO3S2/c1-16(13,14)4-2-3-11-9(12)7-5-8(10)15-6-7/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyQBHTVHVAXDHTGB-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.52
Rot. Bonds5

About 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide

5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide (PubChem CID 78949717) has the molecular formula C9H12INO3S2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
PubChem CID78949717
Molecular FormulaC9H12INO3S2
Molecular Weight373.24 g/mol
Exact Mass372.93
IUPAC Name5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO3S2/c1-16(13,14)4-2-3-11-9(12)7-5-8(10)15-6-7/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyQBHTVHVAXDHTGB-UHFFFAOYSA-N
XLogP1.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
5-iodo-N-(2-sulfamoylethyl)thiophene-3-carboxamide
CID 78950626
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide (CID 78949717) is 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide is CS(=O)(=O)CCCNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide?
The InChIKey is QBHTVHVAXDHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO3S2/c1-16(13,14)4-2-3-11-9(12)7-5-8(10)15-6-7/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide?
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 78949717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).