N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide

C93H87Cl3N12O19S4 — CID 158385641

About N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide

N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide (PubChem CID 158385641) has the molecular formula C93H87Cl3N12O19S4 and a molecular weight of 1911.41 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide
• PubChem CID: 158385641
• Molecular Formula: C93H87Cl3N12O19S4
• Molecular Weight: 1911.41 g/mol
• Exact Mass: 1908.42
• IUPAC Name: N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide
• SMILES: Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4CCOCS4(=O)=O)cc3)ccc2Cl)c1.Cc1cccc2c(NC(=O)c3ccc(N4CCOCS4(=O)=O)cc3)cccc12.O=C(Nc1ccc(Cl)c(-c2ncccc2N2CCOCC2)c1)c1ccc(N2CCOCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCOCS2(=O)=O)cc1
• InChI: InChI=1S/C25H25ClN4O5S.C24H22ClN3O5S.C23H20ClN3O5S.C21H20N2O4S/c26-22-8-5-19(16-21(22)24-23(2-1-9-27-24)29-10-13-34-14-11-29)28-25(31)18-3-6-20(7-4-18)30-12-15-35-17-36(30,32)33;1-16-3-2-4-18(13-16)24(30)27-22-14-19(7-10-21(22)25)26-23(29)17-5-8-20(9-6-17)28-11-12-33-15-34(28,31)32;24-20-11-8-18(14-21(20)26-23(29)16-4-2-1-3-5-16)25-22(28)17-6-9-19(10-7-17)27-12-13-32-15-33(27,30)31;1-15-4-2-6-19-18(15)5-3-7-20(19)22-21(24)16-8-10-17(11-9-16)23-12-13-27-14-28(23,25)26/h1-9,16H,10-15,17H2,(H,28,31);2-10,13-14H,11-12,15H2,1H3,(H,26,29)(H,27,30);1-11,14H,12-13,15H2,(H,25,28)(H,26,29);2-11H,12-14H2,1H3,(H,22,24)
• InChIKey: GWIJDRHDXGSJML-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 386.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.41
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide?

The IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide (CID 158385641) is N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide.

What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide?

The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide is Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4CCOCS4(=O)=O)cc3)ccc2Cl)c1.Cc1cccc2c(NC(=O)c3ccc(N4CCOCS4(=O)=O)cc3)cccc12.O=C(Nc1ccc(Cl)c(-c2ncccc2N2CCOCC2)c1)c1ccc(N2CCOCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCOCS2(=O)=O)cc1.

What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide?

The InChIKey is GWIJDRHDXGSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O5S.C24H22ClN3O5S.C23H20ClN3O5S.C21H20N2O4S/c26-22-8-5-19(16-21(22)24-23(2-1-9-27-24)29-10-13-34-14-11-29)28-25(31)18-3-6-20(7-4-18)30-12-15-35-17-36(30,32)33;1-16-3-2-4-18(13-16)24(30)27-22-14-19(7-10-21(22)25)26-23(29)17-5-8-20(9-6-17)28-11-12-33-15-34(28,31)32;24-20-11-8-18(14-21(20)26-23(29)16-4-2-1-3-5-16)25-22(28)17-6-9-19(10-7-17)27-12-13-32-15-33(27,30)31;1-15-4-2-6-19-18(15)5-3-7-20(19)22-21(24)16-8-10-17(11-9-16)23-12-13-27-14-28(23,25)26/h1-9,16H,10-15,17H2,(H,28,31);2-10,13-14H,11-12,15H2,1H3,(H,26,29)(H,27,30);1-11,14H,12-13,15H2,(H,25,28)(H,26,29);2-11H,12-14H2,1H3,(H,22,24).

What are the key properties of N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide?

N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide has a molecular weight of 1911.41 g/mol, XLogP of 15.38, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide is sourced from PubChem (CID 158385641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).