5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide

C15H16INO2S — CID 78949487

IUPAC5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2csc(I)c2)o1
InChIInChI=1S/C15H16INO2S/c1-9-5-12(9)13-4-3-11(19-13)7-17(2)15(18)10-6-14(16)20-8-10/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyWZGZZKILHRTDTQ-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.34
Rot. Bonds4

About 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide

5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 78949487) has the molecular formula C15H16INO2S and a molecular weight of 401.27 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
PubChem CID78949487
Molecular FormulaC15H16INO2S
Molecular Weight401.27 g/mol
Exact Mass400.99
IUPAC Name5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2csc(I)c2)o1
InChIInChI=1S/C15H16INO2S/c1-9-5-12(9)13-4-3-11(19-13)7-17(2)15(18)10-6-14(16)20-8-10/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyWZGZZKILHRTDTQ-UHFFFAOYSA-N
XLogP4.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide (CID 78949487) is 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide is CC1CC1c1ccc(CN(C)C(=O)c2csc(I)c2)o1.
What is the InChIKey of 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is WZGZZKILHRTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2S/c1-9-5-12(9)13-4-3-11(19-13)7-17(2)15(18)10-6-14(16)20-8-10/h3-4,6,8-9,12H,5,7H2,1-2H3.
What are the key properties of 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide?
5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 401.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).