4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone

C92H87Br2Cl5F3N9O17S7 — CID 160795042

About 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone

4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone (PubChem CID 160795042) has the molecular formula C92H87Br2Cl5F3N9O17S7 and a molecular weight of 2209.29 g/mol. Its IUPAC name is 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

• Compound Name: 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone
• PubChem CID: 160795042
• Molecular Formula: C92H87Br2Cl5F3N9O17S7
• Molecular Weight: 2209.29 g/mol
• Exact Mass: 2203.10
• IUPAC Name: 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone
• SMILES: Cn1cnc(-c2ccc(C3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(c2ccccc2)C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(c2cccs2)C1.O=C(NCCc1ccccc1)C1CN(C(=O)c2ccc(Br)c(Cl)c2)CCS1(=O)=O.O=C(Nc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O
• InChI: InChI=1S/C20H20BrClN2O4S.C19H17BrClN3O3S2.C19H18ClFN2O4S.C18H17ClFNO3S.C16H15ClFNO3S2/c21-16-7-6-15(12-17(16)22)20(26)24-10-11-29(27,28)18(13-24)19(25)23-9-8-14-4-2-1-3-5-14;1-23-9-15(22-11-23)16-4-5-17(28-16)18-10-24(6-7-29(18,26)27)19(25)12-2-3-13(20)14(21)8-12;20-15-10-13(6-7-16(15)21)11-18(24)23-8-9-28(26,27)17(12-23)19(25)22-14-4-2-1-3-5-14;19-15-10-13(6-7-16(15)20)11-18(22)21-8-9-25(23,24)17(12-21)14-4-2-1-3-5-14;17-12-8-11(3-4-13(12)18)9-16(20)19-5-7-24(21,22)15(10-19)14-2-1-6-23-14/h1-7,12,18H,8-11,13H2,(H,23,25);2-5,8-9,11,18H,6-7,10H2,1H3;1-7,10,17H,8-9,11-12H2,(H,22,25);1-7,10,17H,8-9,11-12H2;1-4,6,8,15H,5,7,9-10H2
• InChIKey: SCIFCWBKZPQPFV-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 348.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.29
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone?

The IUPAC name of 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone (CID 160795042) is 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone.

What is the SMILES notation for 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone?

The canonical SMILES for 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone is Cn1cnc(-c2ccc(C3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(c2ccccc2)C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCS(=O)(=O)C(c2cccs2)C1.O=C(NCCc1ccccc1)C1CN(C(=O)c2ccc(Br)c(Cl)c2)CCS1(=O)=O.O=C(Nc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.

What is the InChIKey of 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone?

The InChIKey is SCIFCWBKZPQPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O4S.C19H17BrClN3O3S2.C19H18ClFN2O4S.C18H17ClFNO3S.C16H15ClFNO3S2/c21-16-7-6-15(12-17(16)22)20(26)24-10-11-29(27,28)18(13-24)19(25)23-9-8-14-4-2-1-3-5-14;1-23-9-15(22-11-23)16-4-5-17(28-16)18-10-24(6-7-29(18,26)27)19(25)12-2-3-13(20)14(21)8-12;20-15-10-13(6-7-16(15)21)11-18(24)23-8-9-28(26,27)17(12-23)19(25)22-14-4-2-1-3-5-14;19-15-10-13(6-7-16(15)20)11-18(22)21-8-9-25(23,24)17(12-21)14-4-2-1-3-5-14;17-12-8-11(3-4-13(12)18)9-16(20)19-5-7-24(21,22)15(10-19)14-2-1-6-23-14/h1-7,12,18H,8-11,13H2,(H,23,25);2-5,8-9,11,18H,6-7,10H2,1H3;1-7,10,17H,8-9,11-12H2,(H,22,25);1-7,10,17H,8-9,11-12H2;1-4,6,8,15H,5,7,9-10H2.

What are the key properties of 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone?

4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone has a molecular weight of 2209.29 g/mol, XLogP of 15.26, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 160795042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).