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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Related Compounds

N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide
CID 76401548
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 71819015
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-6-Carboxamide
CID 76401547
4-sulfamoyl-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CID 16195647
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
4-(4-Benzothiazol-2-yl-piperidine-1-sulfonyl)-N,N-diethyl-benzamide
CID 1436935
Benzo[b]thiophen-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606337
N-[(4-pyridin-3-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56837162
N-[[4-(1-Piperidinylsulfonyl)phenyl]methyl]-6-benzothiazolecarboxamide
CID 56943317
N-(4-(phenylsulfonyl)benzyl)thieno[2,3-c]pyridine-2-carboxamide
CID 66610527
N-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613538

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).