[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone

C23H24N2O4S — CID 19600131

IUPAC[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone
SMILESCN(C)Cc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C23H24N2O4S/c1-24(2)15-20-14-19-12-13-25(16-22(19)29-20)30(27,28)21-10-8-18(9-11-21)23(26)17-6-4-3-5-7-17/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyDYVQKVBDBAZAOX-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.32
Rot. Bonds6

About [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone

[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone (PubChem CID 19600131) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone
PubChem CID19600131
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone
SMILESCN(C)Cc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C23H24N2O4S/c1-24(2)15-20-14-19-12-13-25(16-22(19)29-20)30(27,28)21-10-8-18(9-11-21)23(26)17-6-4-3-5-7-17/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyDYVQKVBDBAZAOX-UHFFFAOYSA-N
XLogP3.32
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.32
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]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone (CID 19600131) is [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone is CN(C)Cc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2.
What is the InChIKey of [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone?
The InChIKey is DYVQKVBDBAZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-24(2)15-20-14-19-12-13-25(16-22(19)29-20)30(27,28)21-10-8-18(9-11-21)23(26)17-6-4-3-5-7-17/h3-11,14H,12-13,15-16H2,1-2H3.
What are the key properties of [4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone?
[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone has a molecular weight of 424.52 g/mol, XLogP of 3.32, 6 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]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 19600131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).