[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone

C22H22N2O3S — CID 19599886

IUPAC[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3cccs3)cc1)CC2
InChIInChI=1S/C22H22N2O3S/c1-23(2)13-18-12-17-9-10-24(14-19(17)27-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-28-20/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyUZOOXGIORCZWMJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.83
Rot. Bonds5

About [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone

[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone (PubChem CID 19599886) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone
PubChem CID19599886
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3cccs3)cc1)CC2
InChIInChI=1S/C22H22N2O3S/c1-23(2)13-18-12-17-9-10-24(14-19(17)27-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-28-20/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyUZOOXGIORCZWMJ-UHFFFAOYSA-N
XLogP3.83
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone (CID 19599886) is [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone is CN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3cccs3)cc1)CC2.
What is the InChIKey of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone?
The InChIKey is UZOOXGIORCZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-23(2)13-18-12-17-9-10-24(14-19(17)27-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-28-20/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone?
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone has a molecular weight of 394.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 19599886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).