5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

C25H27FN4O3S — CID 42375747

IUPAC5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2
InChIInChI=1S/C25H27FN4O3S/c1-17-24(15-28-34(32,33)29(2)3)23-12-13-30(16-21(23)14-27-17)25(31)20-6-4-18(5-7-20)19-8-10-22(26)11-9-19/h4-11,14,28H,12-13,15-16H2,1-3H3
InChIKeyLMQKGXIKDWSKDB-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.29
Rot. Bonds6

About 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 42375747) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID42375747
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2
InChIInChI=1S/C25H27FN4O3S/c1-17-24(15-28-34(32,33)29(2)3)23-12-13-30(16-21(23)14-27-17)25(31)20-6-4-18(5-7-20)19-8-10-22(26)11-9-19/h4-11,14,28H,12-13,15-16H2,1-3H3
InChIKeyLMQKGXIKDWSKDB-UHFFFAOYSA-N
XLogP3.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (CID 42375747) is 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is LMQKGXIKDWSKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c1-17-24(15-28-34(32,33)29(2)3)23-12-13-30(16-21(23)14-27-17)25(31)20-6-4-18(5-7-20)19-8-10-22(26)11-9-19/h4-11,14,28H,12-13,15-16H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 482.58 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-2-[4-(4-fluorophenyl)benzoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 42375747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).