5-iodo-N,N-dipropylthiophene-3-carboxamide

C11H16INOS — CID 78948915

IUPAC5-iodo-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1csc(I)c1
InChIInChI=1S/C11H16INOS/c1-3-5-13(6-4-2)11(14)9-7-10(12)15-8-9/h7-8H,3-6H2,1-2H3
InChIKeyNCWVXANTVUMFNP-UHFFFAOYSA-N
MW337.23 g/mol
LogP3.61
Rot. Bonds5

About 5-iodo-N,N-dipropylthiophene-3-carboxamide

5-iodo-N,N-dipropylthiophene-3-carboxamide (PubChem CID 78948915) has the molecular formula C11H16INOS and a molecular weight of 337.23 g/mol. Its IUPAC name is 5-iodo-N,N-dipropylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N,N-dipropylthiophene-3-carboxamide
PubChem CID78948915
Molecular FormulaC11H16INOS
Molecular Weight337.23 g/mol
Exact Mass337.00
IUPAC Name5-iodo-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1csc(I)c1
InChIInChI=1S/C11H16INOS/c1-3-5-13(6-4-2)11(14)9-7-10(12)15-8-9/h7-8H,3-6H2,1-2H3
InChIKeyNCWVXANTVUMFNP-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
N-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
CID 131019852

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dipropylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N,N-dipropylthiophene-3-carboxamide (CID 78948915) is 5-iodo-N,N-dipropylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N,N-dipropylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N,N-dipropylthiophene-3-carboxamide is CCCN(CCC)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N,N-dipropylthiophene-3-carboxamide?
The InChIKey is NCWVXANTVUMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INOS/c1-3-5-13(6-4-2)11(14)9-7-10(12)15-8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-iodo-N,N-dipropylthiophene-3-carboxamide?
5-iodo-N,N-dipropylthiophene-3-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dipropylthiophene-3-carboxamide is sourced from PubChem (CID 78948915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).