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

C15H10ClIN2OS2 — CID 10276372

IUPACN-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2sc(I)cc2c1=S
InChIInChI=1S/C15H10ClIN2OS2/c16-9-3-1-8(2-4-9)6-18-14(20)11-7-19-15-10(13(11)21)5-12(17)22-15/h1-5,7H,6H2,(H,18,20)(H,19,21)
InChIKeyYWUZQJHZFNFFRG-UHFFFAOYSA-N
MW460.75 g/mol
LogP5.15
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 10276372) has the molecular formula C15H10ClIN2OS2 and a molecular weight of 460.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID10276372
Molecular FormulaC15H10ClIN2OS2
Molecular Weight460.75 g/mol
Exact Mass459.90
IUPAC NameN-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2sc(I)cc2c1=S
InChIInChI=1S/C15H10ClIN2OS2/c16-9-3-1-8(2-4-9)6-18-14(20)11-7-19-15-10(13(11)21)5-12(17)22-15/h1-5,7H,6H2,(H,18,20)(H,19,21)
InChIKeyYWUZQJHZFNFFRG-UHFFFAOYSA-N
XLogP5.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-cyano-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-[(4-chlorophenyl)methyl]-2-iodo-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 160855736
N-[(4-chlorophenyl)methyl]-2-iodo-7-propan-2-yl-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide
CID 10278781
N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 10095695
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-7-methyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide
CID 10201418
2-butyl-N-[(4-chlorophenyl)methyl]-7-methyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide
CID 59072821
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 10276372) is N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c[nH]c2sc(I)cc2c1=S.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is YWUZQJHZFNFFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2OS2/c16-9-3-1-8(2-4-9)6-18-14(20)11-7-19-15-10(13(11)21)5-12(17)22-15/h1-5,7H,6H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 460.75 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-iodo-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 10276372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).