N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide

C21H16N2O3S2 — CID 71818301

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2s1
InChIInChI=1S/C21H16N2O3S2/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,24)
InChIKeyHLBSBCNHYMLASJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.06
Rot. Bonds5

About N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 71818301) has the molecular formula C21H16N2O3S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID71818301
Molecular FormulaC21H16N2O3S2
Molecular Weight408.50 g/mol
Exact Mass408.06
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2s1
InChIInChI=1S/C21H16N2O3S2/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,24)
InChIKeyHLBSBCNHYMLASJ-UHFFFAOYSA-N
XLogP4.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide (CID 71818301) is N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2s1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is HLBSBCNHYMLASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S2/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,24).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 71818301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).