N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide

C18H16IN3O3S — CID 12584109

IUPACN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CI
InChIInChI=1S/C18H16IN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23)
InChIKeyWYFPDJQPMVDNDE-UHFFFAOYSA-N
MW481.32 g/mol
LogP3.06
Rot. Bonds5

About N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide

N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide (PubChem CID 12584109) has the molecular formula C18H16IN3O3S and a molecular weight of 481.32 g/mol. Its IUPAC name is N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide
PubChem CID12584109
Molecular FormulaC18H16IN3O3S
Molecular Weight481.32 g/mol
Exact Mass481.00
IUPAC NameN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CI
InChIInChI=1S/C18H16IN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23)
InChIKeyWYFPDJQPMVDNDE-UHFFFAOYSA-N
XLogP3.06
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide?
The IUPAC name of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide (CID 12584109) is N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide.
What is the SMILES notation for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide?
The canonical SMILES for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide is N#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CI.
What is the InChIKey of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide?
The InChIKey is WYFPDJQPMVDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23).
What are the key properties of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide?
N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide has a molecular weight of 481.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-iodoacetamide is sourced from PubChem (CID 12584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).