4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide

C16H14N2OS2 — CID 10267771

IUPAC4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1C
InChIInChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
InChIKeyCHZNMKYYVJKVAE-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.16
Rot. Bonds3

About 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide

4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10267771) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID10267771
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1C
InChIInChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
InChIKeyCHZNMKYYVJKVAE-UHFFFAOYSA-N
XLogP4.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide (CID 10267771) is 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide is Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CHZNMKYYVJKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19).
What are the key properties of 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide?
4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).