N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide

C98H81Cl4N15O16S5 — CID 158415661

About N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide (PubChem CID 158415661) has the molecular formula C98H81Cl4N15O16S5 and a molecular weight of 2026.96 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
• PubChem CID: 158415661
• Molecular Formula: C98H81Cl4N15O16S5
• Molecular Weight: 2026.96 g/mol
• Exact Mass: 2023.33
• IUPAC Name: N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide
• SMILES: Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCOCS2(=O)=O)cc1
• InChI: InChI=1S/3C25H21ClN4O4S.C23H18ClN3O4S2/c1-16-12-19(30-10-11-34-15-35(30,32)33)4-5-20(16)25(31)28-18-3-6-22(26)21(13-18)24-7-2-17-14-27-9-8-23(17)29-24;1-16-13-18(30-11-12-34-15-35(30,32)33)5-6-19(16)25(31)28-17-4-7-21(26)20(14-17)22-8-9-23-24(29-22)3-2-10-27-23;1-16-12-19(30-10-11-34-15-35(30,32)33)7-8-20(16)25(31)28-18-6-9-22(26)21(13-18)24-27-14-17-4-2-3-5-23(17)29-24;24-20-6-3-16(13-19(20)22-18-8-12-32-21(18)7-9-25-22)26-23(28)15-1-4-17(5-2-15)27-10-11-31-14-33(27,29)30/h2-9,12-14H,10-11,15H2,1H3,(H,28,31);2-10,13-14H,11-12,15H2,1H3,(H,28,31);2-9,12-14H,10-11,15H2,1H3,(H,28,31);1-9,12-13H,10-11,14H2,(H,26,28)
• InChIKey: GZWBUOMLBJMKRE-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 393.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.96
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?

The IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide (CID 158415661) is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide.

What is the SMILES notation for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?

The canonical SMILES for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide is Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1.Cc1cc(N2CCOCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCOCS2(=O)=O)cc1.

What is the InChIKey of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?

The InChIKey is GZWBUOMLBJMKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H21ClN4O4S.C23H18ClN3O4S2/c1-16-12-19(30-10-11-34-15-35(30,32)33)4-5-20(16)25(31)28-18-3-6-22(26)21(13-18)24-7-2-17-14-27-9-8-23(17)29-24;1-16-13-18(30-11-12-34-15-35(30,32)33)5-6-19(16)25(31)28-17-4-7-21(26)20(14-17)22-8-9-23-24(29-22)3-2-10-27-23;1-16-12-19(30-10-11-34-15-35(30,32)33)7-8-20(16)25(31)28-18-6-9-22(26)21(13-18)24-27-14-17-4-2-3-5-23(17)29-24;24-20-6-3-16(13-19(20)22-18-8-12-32-21(18)7-9-25-22)26-23(28)15-1-4-17(5-2-15)27-10-11-31-14-33(27,29)30/h2-9,12-14H,10-11,15H2,1H3,(H,28,31);2-10,13-14H,11-12,15H2,1H3,(H,28,31);2-9,12-14H,10-11,15H2,1H3,(H,28,31);1-9,12-13H,10-11,14H2,(H,26,28).

What are the key properties of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide?

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide has a molecular weight of 2026.96 g/mol, XLogP of 18.90, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide is sourced from PubChem (CID 158415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).