N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C24H19ClN4O3S — CID 90129763

IUPACN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O3S/c25-21-9-6-17(15-20(21)23-19-3-1-11-26-22(19)10-12-27-23)28-24(30)16-4-7-18(8-5-16)29-13-2-14-33(29,31)32/h1,3-12,15H,2,13-14H2,(H,28,30)
InChIKeyCQHQBGHWLIKGOT-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.74
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 90129763) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID90129763
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O3S/c25-21-9-6-17(15-20(21)23-19-3-1-11-26-22(19)10-12-27-23)28-24(30)16-4-7-18(8-5-16)29-13-2-14-33(29,31)32/h1,3-12,15H,2,13-14H2,(H,28,30)
InChIKeyCQHQBGHWLIKGOT-UHFFFAOYSA-N
XLogP4.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 90129763) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is CQHQBGHWLIKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c25-21-9-6-17(15-20(21)23-19-3-1-11-26-22(19)10-12-27-23)28-24(30)16-4-7-18(8-5-16)29-13-2-14-33(29,31)32/h1,3-12,15H,2,13-14H2,(H,28,30).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 478.96 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 90129763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).