2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide

C15H16INO2S — CID 23914414

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
SMILESCCC(SCc1ccco1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H16INO2S/c1-2-14(20-10-13-4-3-9-19-13)15(18)17-12-7-5-11(16)6-8-12/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyIKZSEJRQAAUNLF-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.53
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide

2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide (PubChem CID 23914414) has the molecular formula C15H16INO2S and a molecular weight of 401.27 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
PubChem CID23914414
Molecular FormulaC15H16INO2S
Molecular Weight401.27 g/mol
Exact Mass400.99
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide
SMILESCCC(SCc1ccco1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H16INO2S/c1-2-14(20-10-13-4-3-9-19-13)15(18)17-12-7-5-11(16)6-8-12/h3-9,14H,2,10H2,1H3,(H,17,18)
InChIKeyIKZSEJRQAAUNLF-UHFFFAOYSA-N
XLogP4.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
N-(4-bromo-2-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)butanamide
CID 23772191
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
CID 75520332
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053
2-(3-aminophenyl)sulfanyl-N-(4-iodophenyl)butanamide
CID 18894354
2-benzylsulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 23801401
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(furan-2-ylmethylsulfanyl)butan-1-one
CID 23744247
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 21232397
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide (CID 23914414) is 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide is CCC(SCc1ccco1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide?
The InChIKey is IKZSEJRQAAUNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2S/c1-2-14(20-10-13-4-3-9-19-13)15(18)17-12-7-5-11(16)6-8-12/h3-9,14H,2,10H2,1H3,(H,17,18).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide?
2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide has a molecular weight of 401.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 23914414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).