N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C81H92ClN13O13S5 — CID 159728562

About N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 159728562) has the molecular formula C81H92ClN13O13S5 and a molecular weight of 1651.49 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 159728562
• Molecular Formula: C81H92ClN13O13S5
• Molecular Weight: 1651.49 g/mol
• Exact Mass: 1649.52
• IUPAC Name: N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• SMILES: CCn1c(=O)[nH]c2cc(NC(=O)Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)ccc21.Cc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1N(C)C.O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCS(=O)(=O)CC2)cc1.O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(CN2CCS(=O)(=O)CC2)cc1
• InChI: InChI=1S/C21H25N5O4S.C21H21N3O3S2.C21H27N3O3S.C18H19ClN2O3S/c1-2-26-19-8-7-17(13-18(19)24-21(26)28)23-20(27)22-16-5-3-15(4-6-16)14-25-9-11-31(29,30)12-10-25;25-20(23-21-22-19(15-28-21)17-4-2-1-3-5-17)18-8-6-16(7-9-18)14-24-10-12-29(26,27)13-11-24;1-16-4-9-19(14-20(16)23(2)3)22-21(25)18-7-5-17(6-8-18)15-24-10-12-28(26,27)13-11-24;19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-25(23,24)12-10-21/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)(H2,22,23,27);1-9,15H,10-14H2,(H,22,23,25);4-9,14H,10-13,15H2,1-3H3,(H,22,25);1-8H,9-13H2,(H,20,22)
• InChIKey: NAYGFFAMPBWSEF-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 331.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1651.49
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 159728562) is N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CCn1c(=O)[nH]c2cc(NC(=O)Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)ccc21.Cc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1N(C)C.O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCS(=O)(=O)CC2)cc1.O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(CN2CCS(=O)(=O)CC2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is NAYGFFAMPBWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S.C21H21N3O3S2.C21H27N3O3S.C18H19ClN2O3S/c1-2-26-19-8-7-17(13-18(19)24-21(26)28)23-20(27)22-16-5-3-15(4-6-16)14-25-9-11-31(29,30)12-10-25;25-20(23-21-22-19(15-28-21)17-4-2-1-3-5-17)18-8-6-16(7-9-18)14-24-10-12-29(26,27)13-11-24;1-16-4-9-19(14-20(16)23(2)3)22-21(25)18-7-5-17(6-8-18)15-24-10-12-28(26,27)13-11-24;19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-25(23,24)12-10-21/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)(H2,22,23,27);1-9,15H,10-14H2,(H,22,23,25);4-9,14H,10-13,15H2,1-3H3,(H,22,25);1-8H,9-13H2,(H,20,22).

What are the key properties of N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 1651.49 g/mol, XLogP of 10.88, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 159728562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).