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

C98H85Cl2N19O12S4 — CID 157171096

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

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide (PubChem CID 157171096) has the molecular formula C98H85Cl2N19O12S4 and a molecular weight of 1920.05 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
• PubChem CID: 157171096
• Molecular Formula: C98H85Cl2N19O12S4
• Molecular Weight: 1920.05 g/mol
• Exact Mass: 1917.49
• IUPAC Name: 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cnccc5n4)c3)c(Cl)c2)S1(=O)=O.Cc1ccc(NC(=O)c2ccc(N3CCN(C)S3(=O)=O)cc2)cc1-c1nccc2ncccc12.Cc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1
• InChI: InChI=1S/C25H23N5O3S.C25H22N4O3S.C24H19Cl2N5O3S.C24H21N5O3S/c1-17-5-8-19(16-22(17)24-21-4-3-12-26-23(21)11-13-27-24)28-25(31)18-6-9-20(10-7-18)30-15-14-29(2)34(30,32)33;1-17-6-10-20(16-22(17)24-13-9-18-4-2-3-5-23(18)28-24)27-25(30)19-7-11-21(12-8-19)29-15-14-26-33(29,31)32;1-30-10-11-31(35(30,33)34)17-4-5-18(21(26)13-17)24(32)28-16-3-6-20(25)19(12-16)23-7-2-15-14-27-9-8-22(15)29-23;1-16-4-7-18(15-20(16)21-10-11-22-23(28-21)3-2-12-25-22)27-24(30)17-5-8-19(9-6-17)29-14-13-26-33(29,31)32/h3-13,16H,14-15H2,1-2H3,(H,28,31);2-13,16,26H,14-15H2,1H3,(H,27,30);2-9,12-14H,10-11H2,1H3,(H,28,32);2-12,15,26H,13-14H2,1H3,(H,27,30)
• InChIKey: ANLWUFNXAYBDQT-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 386.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.05
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?

The IUPAC name of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide (CID 157171096) is 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide.

What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?

The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cnccc5n4)c3)c(Cl)c2)S1(=O)=O.Cc1ccc(NC(=O)c2ccc(N3CCN(C)S3(=O)=O)cc2)cc1-c1nccc2ncccc12.Cc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.Cc1ccc(NC(=O)c2ccc(N3CCNS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.

What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?

The InChIKey is ANLWUFNXAYBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S.C25H22N4O3S.C24H19Cl2N5O3S.C24H21N5O3S/c1-17-5-8-19(16-22(17)24-21-4-3-12-26-23(21)11-13-27-24)28-25(31)18-6-9-20(10-7-18)30-15-14-29(2)34(30,32)33;1-17-6-10-20(16-22(17)24-13-9-18-4-2-3-5-23(18)28-24)27-25(30)19-7-11-21(12-8-19)29-15-14-26-33(29,31)32;1-30-10-11-31(35(30,33)34)17-4-5-18(21(26)13-17)24(32)28-16-3-6-20(25)19(12-16)23-7-2-15-14-27-9-8-22(15)29-23;1-16-4-7-18(15-20(16)21-10-11-22-23(28-21)3-2-12-25-22)27-24(30)17-5-8-19(9-6-17)29-14-13-26-33(29,31)32/h3-13,16H,14-15H2,1-2H3,(H,28,31);2-13,16,26H,14-15H2,1H3,(H,27,30);2-9,12-14H,10-11H2,1H3,(H,28,32);2-12,15,26H,13-14H2,1H3,(H,27,30).

What are the key properties of 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide?

2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide has a molecular weight of 1920.05 g/mol, XLogP of 16.34, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide;4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide is sourced from PubChem (CID 157171096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).