4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C16H15N3O4S2 — CID 23585611

IUPAC4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)COc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-25(21,22)8-23-10-4-2-9(3-5-10)13-6-11-14(24-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyFQPGTJHXDQYEBH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.03
Rot. Bonds5

About 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 23585611) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID23585611
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)COc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-25(21,22)8-23-10-4-2-9(3-5-10)13-6-11-14(24-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyFQPGTJHXDQYEBH-UHFFFAOYSA-N
XLogP2.03
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 23585611) is 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is CS(=O)(=O)COc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.
What is the InChIKey of 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is FQPGTJHXDQYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-25(21,22)8-23-10-4-2-9(3-5-10)13-6-11-14(24-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 23585611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).