N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

C16H12ClIN2O2S — CID 10095695

IUPACN-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)sc21
InChIInChI=1S/C16H12ClIN2O2S/c1-20-8-12(14(21)11-6-13(18)23-16(11)20)15(22)19-7-9-2-4-10(17)5-3-9/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyRYVILUZKQWWFEK-UHFFFAOYSA-N
MW458.71 g/mol
LogP3.79
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide (PubChem CID 10095695) has the molecular formula C16H12ClIN2O2S and a molecular weight of 458.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
PubChem CID10095695
Molecular FormulaC16H12ClIN2O2S
Molecular Weight458.71 g/mol
Exact Mass457.94
IUPAC NameN-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)sc21
InChIInChI=1S/C16H12ClIN2O2S/c1-20-8-12(14(21)11-6-13(18)23-16(11)20)15(22)19-7-9-2-4-10(17)5-3-9/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyRYVILUZKQWWFEK-UHFFFAOYSA-N
XLogP3.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide (CID 10095695) is N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide is Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)sc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is RYVILUZKQWWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN2O2S/c1-20-8-12(14(21)11-6-13(18)23-16(11)20)15(22)19-7-9-2-4-10(17)5-3-9/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 458.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 10095695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).