2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide

C20H23N3O3S — CID 72938591

IUPAC2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
SMILESCC1Cc2cc(NC(=O)N3CCc4sc(C(=O)N(C)C)cc4C3)ccc2O1
InChIInChI=1S/C20H23N3O3S/c1-12-8-13-9-15(4-5-16(13)26-12)21-20(25)23-7-6-17-14(11-23)10-18(27-17)19(24)22(2)3/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,21,25)
InChIKeySAOFCCDWAAXLJA-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.36
Rot. Bonds2

About 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide

2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide (PubChem CID 72938591) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
PubChem CID72938591
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
SMILESCC1Cc2cc(NC(=O)N3CCc4sc(C(=O)N(C)C)cc4C3)ccc2O1
InChIInChI=1S/C20H23N3O3S/c1-12-8-13-9-15(4-5-16(13)26-12)21-20(25)23-7-6-17-14(11-23)10-18(27-17)19(24)22(2)3/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,21,25)
InChIKeySAOFCCDWAAXLJA-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide 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 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide (CID 72938591) is 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide is CC1Cc2cc(NC(=O)N3CCc4sc(C(=O)N(C)C)cc4C3)ccc2O1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide?
The InChIKey is SAOFCCDWAAXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-8-13-9-15(4-5-16(13)26-12)21-20(25)23-7-6-17-14(11-23)10-18(27-17)19(24)22(2)3/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,21,25).
What are the key properties of 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide?
2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 72938591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).