3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C20H16N4O3S2 — CID 173468684

IUPAC3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(Cc3c(C(N)=O)sc4cnccc34)cc2)n1
InChIInChI=1S/C20H16N4O3S2/c1-12-9-23-11-18(24-12)29(26,27)14-4-2-13(3-5-14)8-16-15-6-7-22-10-17(15)28-19(16)20(21)25/h2-7,9-11H,8H2,1H3,(H2,21,25)
InChIKeyOJDZHANMBCAEAA-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.92
Rot. Bonds5

About 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 173468684) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID173468684
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(Cc3c(C(N)=O)sc4cnccc34)cc2)n1
InChIInChI=1S/C20H16N4O3S2/c1-12-9-23-11-18(24-12)29(26,27)14-4-2-13(3-5-14)8-16-15-6-7-22-10-17(15)28-19(16)20(21)25/h2-7,9-11H,8H2,1H3,(H2,21,25)
InChIKeyOJDZHANMBCAEAA-UHFFFAOYSA-N
XLogP2.92
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methylthieno[2,3-c]pyridine-2-carboxamide
CID 141171273
3-fluorothieno[2,3-c]pyridine-2-carboxamide
CID 144584123
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012501
6-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-2H-furo[2,3-c]pyridine
CID 66609960
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
3-aminothieno[3,2-c]pyridine-2-carboxamide
CID 99989633
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
3-amino-N-methyl-N-pentan-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 114289192
3-ethylthieno[2,3-c]pyridine-2-carbaldehyde
CID 82374277
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289239
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 173468684) is 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is Cc1cncc(S(=O)(=O)c2ccc(Cc3c(C(N)=O)sc4cnccc34)cc2)n1.
What is the InChIKey of 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is OJDZHANMBCAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c1-12-9-23-11-18(24-12)29(26,27)14-4-2-13(3-5-14)8-16-15-6-7-22-10-17(15)28-19(16)20(21)25/h2-7,9-11H,8H2,1H3,(H2,21,25).
What are the key properties of 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 173468684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).