N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane

C101H99ClF6N28O13S3 — CID 160892793

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane (PubChem CID 160892793) has the molecular formula C101H99ClF6N28O13S3 and a molecular weight of 2158.73 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane
• PubChem CID: 160892793
• Molecular Formula: C101H99ClF6N28O13S3
• Molecular Weight: 2158.73 g/mol
• Exact Mass: 2156.67
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane
• SMILES: CC(C)c1nc(CC(=O)Cc2nc(-c3ccccn3)n[nH]2)cs1.CC(OCC(F)(F)F)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(C)(F)F.C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Cc1nc(-c2ccccn2)n[nH]1.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1C(=O)CCC2.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1ccc(CN2C(=O)CCC2=O)cc1.S.[H][H]
• InChI: InChI=1S/C20H17N5O3.C19H18ClF2N3O.C17H16FN5O3S.C17H15N5O3.C16H17N5OS.C12H12F3N5O2.H2S.H2/c26-17-8-9-18(27)25(17)12-13-4-6-14(7-5-13)20(28)24-16-11-22-19(23-16)15-3-1-2-10-21-15;1-19(21,22)15-9-5-3-7-13(15)11-25(2)12-17-23-24-18(26-17)14-8-4-6-10-16(14)20;1-11(23-27(25,26)15-8-3-2-6-12(15)18)14(24)10-16-20-17(22-21-16)13-7-4-5-9-19-13;1-9-13-11(23)6-4-7-12(13)25-14(9)16(24)20-17-19-15(21-22-17)10-5-2-3-8-18-10;1-10(2)16-18-11(9-23-16)7-12(22)8-14-19-15(21-20-14)13-5-3-4-6-17-13;1-7(22-6-12(13,14)15)10(21)18-11-17-9(19-20-11)8-4-2-3-5-16-8;;/h1-7,10-11H,8-9,12H2,(H,22,23)(H,24,28);3-10H,11-12H2,1-2H3;2-9,11,23H,10H2,1H3,(H,20,21,22);2-3,5,8H,4,6-7H2,1H3,(H2,19,20,21,22,24);3-6,9-10H,7-8H2,1-2H3,(H,19,20,21);2-5,7H,6H2,1H3,(H2,17,18,19,20,21);1H2;1H/t;;11-;;;;;/m..0...../s1
• InChIKey: SOMKYTIVAAPFEF-VGBTVGRBSA-N
• XLogP: 16.46
• TPSA: 558.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.73
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane?

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane (CID 160892793) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane?

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane is CC(C)c1nc(CC(=O)Cc2nc(-c3ccccn3)n[nH]2)cs1.CC(OCC(F)(F)F)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(C)(F)F.C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Cc1nc(-c2ccccn2)n[nH]1.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1C(=O)CCC2.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1ccc(CN2C(=O)CCC2=O)cc1.S.[H][H].

What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane?

The InChIKey is SOMKYTIVAAPFEF-VGBTVGRBSA-N. The full InChI is InChI=1S/C20H17N5O3.C19H18ClF2N3O.C17H16FN5O3S.C17H15N5O3.C16H17N5OS.C12H12F3N5O2.H2S.H2/c26-17-8-9-18(27)25(17)12-13-4-6-14(7-5-13)20(28)24-16-11-22-19(23-16)15-3-1-2-10-21-15;1-19(21,22)15-9-5-3-7-13(15)11-25(2)12-17-23-24-18(26-17)14-8-4-6-10-16(14)20;1-11(23-27(25,26)15-8-3-2-6-12(15)18)14(24)10-16-20-17(22-21-16)13-7-4-5-9-19-13;1-9-13-11(23)6-4-7-12(13)25-14(9)16(24)20-17-19-15(21-22-17)10-5-2-3-8-18-10;1-10(2)16-18-11(9-23-16)7-12(22)8-14-19-15(21-20-14)13-5-3-4-6-17-13;1-7(22-6-12(13,14)15)10(21)18-11-17-9(19-20-11)8-4-2-3-5-16-8;;/h1-7,10-11H,8-9,12H2,(H,22,23)(H,24,28);3-10H,11-12H2,1-2H3;2-9,11,23H,10H2,1H3,(H,20,21,22);2-3,5,8H,4,6-7H2,1H3,(H2,19,20,21,22,24);3-6,9-10H,7-8H2,1-2H3,(H,19,20,21);2-5,7H,6H2,1H3,(H2,17,18,19,20,21);1H2;1H/t;;11-;;;;;/m..0...../s1.

What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane?

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane has a molecular weight of 2158.73 g/mol, XLogP of 16.46, 32 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[2-(1,1-difluoroethyl)phenyl]-N-methylmethanamine;4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;2-fluoro-N-[(2S)-3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]benzenesulfonamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;molecular hydrogen;1-(2-propan-2-yl-1,3-thiazol-4-yl)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide;sulfane is sourced from PubChem (CID 160892793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).