4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide

C15H12N2O2S2 — CID 10686899

IUPAC4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)c2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)21(19)14-8-17-7-13-11(14)6-12(20-13)15(16)18/h2-8H,1H3,(H2,16,18)
InChIKeyUDXYEVHQVWGZNF-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.87
Rot. Bonds3

About 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide

4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10686899) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID10686899
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)c2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)21(19)14-8-17-7-13-11(14)6-12(20-13)15(16)18/h2-8H,1H3,(H2,16,18)
InChIKeyUDXYEVHQVWGZNF-UHFFFAOYSA-N
XLogP2.87
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 71819015
A-205804
CID 9839311
4-(3-Phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218751
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-amide
CID 9797597
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-methyl-amide
CID 9798233
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid (2,3-dihydroxy-propyl)-amide
CID 9799728
Phenyl-(4-p-tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanone
CID 9841875
4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9858022
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carbaldehyde
CID 9860649
4-(Pyridin-2-ylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9882382
1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-ethanone
CID 9904395
4-(4-Chloro-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9905179

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide (CID 10686899) is 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide is Cc1ccc(S(=O)c2cncc3sc(C(N)=O)cc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UDXYEVHQVWGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)21(19)14-8-17-7-13-11(14)6-12(20-13)15(16)18/h2-8H,1H3,(H2,16,18).
What are the key properties of 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide?
4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfinylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).