N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

C26H28FN3O3S — CID 42323754

IUPACN-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-c3ccccc3F)c1)C2
InChIInChI=1S/C26H28FN3O3S/c1-3-13-34(32,33)29-16-24-18(2)28-15-21-17-30(12-11-22(21)24)26(31)20-8-6-7-19(14-20)23-9-4-5-10-25(23)27/h4-10,14-15,29H,3,11-13,16-17H2,1-2H3
InChIKeySAMANPIVQARYKN-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.22
Rot. Bonds7

About N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (PubChem CID 42323754) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
PubChem CID42323754
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-c3ccccc3F)c1)C2
InChIInChI=1S/C26H28FN3O3S/c1-3-13-34(32,33)29-16-24-18(2)28-15-21-17-30(12-11-22(21)24)26(31)20-8-6-7-19(14-20)23-9-4-5-10-25(23)27/h4-10,14-15,29H,3,11-13,16-17H2,1-2H3
InChIKeySAMANPIVQARYKN-UHFFFAOYSA-N
XLogP4.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (CID 42323754) is N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-c3ccccc3F)c1)C2.
What is the InChIKey of N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is SAMANPIVQARYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-3-13-34(32,33)29-16-24-18(2)28-15-21-17-30(12-11-22(21)24)26(31)20-8-6-7-19(14-20)23-9-4-5-10-25(23)27/h4-10,14-15,29H,3,11-13,16-17H2,1-2H3.
What are the key properties of N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 481.59 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[3-(2-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 42323754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).