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

C24H19Cl2N5O3S — CID 118463161

IUPAC2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nccc5ncccc45)c3)c(Cl)c2)S1(=O)=O
InChIInChI=1S/C24H19Cl2N5O3S/c1-30-11-12-31(35(30,33)34)16-5-6-17(21(26)14-16)24(32)29-15-4-7-20(25)19(13-15)23-18-3-2-9-27-22(18)8-10-28-23/h2-10,13-14H,11-12H2,1H3,(H,29,32)
InChIKeyHGHXWPJZSGMGHO-UHFFFAOYSA-N
MW528.42 g/mol
LogP4.85
Rot. Bonds4

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

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (PubChem CID 118463161) has the molecular formula C24H19Cl2N5O3S and a molecular weight of 528.42 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
PubChem CID118463161
Molecular FormulaC24H19Cl2N5O3S
Molecular Weight528.42 g/mol
Exact Mass527.06
IUPAC Name2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nccc5ncccc45)c3)c(Cl)c2)S1(=O)=O
InChIInChI=1S/C24H19Cl2N5O3S/c1-30-11-12-31(35(30,33)34)16-5-6-17(21(26)14-16)24(32)29-15-4-7-20(25)19(13-15)23-18-3-2-9-27-22(18)8-10-28-23/h2-10,13-14H,11-12H2,1H3,(H,29,32)
InChIKeyHGHXWPJZSGMGHO-UHFFFAOYSA-N
XLogP4.85
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide (CID 118463161) is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nccc5ncccc45)c3)c(Cl)c2)S1(=O)=O.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
The InChIKey is HGHXWPJZSGMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O3S/c1-30-11-12-31(35(30,33)34)16-5-6-17(21(26)14-16)24(32)29-15-4-7-20(25)19(13-15)23-18-3-2-9-27-22(18)8-10-28-23/h2-10,13-14H,11-12H2,1H3,(H,29,32).
What are the key properties of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide?
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide has a molecular weight of 528.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide is sourced from PubChem (CID 118463161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).