N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide

C9H12INO2S — CID 78995528

IUPACN-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-6(12)2-3-11-9(13)7-4-8(10)14-5-7/h4-6,12H,2-3H2,1H3,(H,11,13)
InChIKeyIAPZNYPVNAAYHT-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.85
Rot. Bonds4

About N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide

N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide (PubChem CID 78995528) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
PubChem CID78995528
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-6(12)2-3-11-9(13)7-4-8(10)14-5-7/h4-6,12H,2-3H2,1H3,(H,11,13)
InChIKeyIAPZNYPVNAAYHT-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide (CID 78995528) is N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide is CC(O)CCNC(=O)c1csc(I)c1.
What is the InChIKey of N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
The InChIKey is IAPZNYPVNAAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-6(12)2-3-11-9(13)7-4-8(10)14-5-7/h4-6,12H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide?
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).