N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C21H17ClN4O3S2 — CID 155287658

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(-c4ccncc4)cnc3s2)ccc1Cl
InChIInChI=1S/C21H17ClN4O3S2/c1-26(2)31(28,29)19-11-16(3-4-17(19)22)25-20(27)18-10-14-9-15(12-24-21(14)30-18)13-5-7-23-8-6-13/h3-12H,1-2H3,(H,25,27)
InChIKeyATQUKIXKBFNMSR-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.51
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155287658) has the molecular formula C21H17ClN4O3S2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155287658
Molecular FormulaC21H17ClN4O3S2
Molecular Weight472.98 g/mol
Exact Mass472.04
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(-c4ccncc4)cnc3s2)ccc1Cl
InChIInChI=1S/C21H17ClN4O3S2/c1-26(2)31(28,29)19-11-16(3-4-17(19)22)25-20(27)18-10-14-9-15(12-24-21(14)30-18)13-5-7-23-8-6-13/h3-12H,1-2H3,(H,25,27)
InChIKeyATQUKIXKBFNMSR-UHFFFAOYSA-N
XLogP4.51
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287668
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155287730
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
CID 100680707
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
4-acetyl-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5033969
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
2,4-dichloro-5-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 1260020

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 155287658) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(-c4ccncc4)cnc3s2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ATQUKIXKBFNMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S2/c1-26(2)31(28,29)19-11-16(3-4-17(19)22)25-20(27)18-10-14-9-15(12-24-21(14)30-18)13-5-7-23-8-6-13/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155287658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).