N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C21H17N3O3S2 — CID 90012501

IUPACN-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)c1
InChIInChI=1S/C21H17N3O3S2/c1-14-8-18(12-23-10-14)29(26,27)17-4-2-15(3-5-17)11-24-21(25)19-9-16-6-7-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyFLSJDRKHSYBLGF-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.76
Rot. Bonds5

About N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90012501) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90012501
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC NameN-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)c1
InChIInChI=1S/C21H17N3O3S2/c1-14-8-18(12-23-10-14)29(26,27)17-4-2-15(3-5-17)11-24-21(25)19-9-16-6-7-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyFLSJDRKHSYBLGF-UHFFFAOYSA-N
XLogP3.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90012501) is N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)c1.
What is the InChIKey of N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FLSJDRKHSYBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-14-8-18(12-23-10-14)29(26,27)17-4-2-15(3-5-17)11-24-21(25)19-9-16-6-7-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).