6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone

C100H114Cl7F3N10O4S5 — CID 157173627

About 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone

6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone (PubChem CID 157173627) has the molecular formula C100H114Cl7F3N10O4S5 and a molecular weight of 1985.58 g/mol. Its IUPAC name is 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone.

Molecular Properties

• Compound Name: 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone
• PubChem CID: 157173627
• Molecular Formula: C100H114Cl7F3N10O4S5
• Molecular Weight: 1985.58 g/mol
• Exact Mass: 1980.54
• IUPAC Name: 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone
• SMILES: C=C(NCC(F)(F)F)c1cccc(CSc2cccc(Cl)c2Cl)n1.CCC1CCC(C)N(C(=O)c2cccc(CSc3cccc(C)c3Cl)n2)C1.CCN(CC)C(=O)c1cccc(CSc2cccc(C)c2Cl)n1.CC[C@@]1(C)CN(C(=O)c2cccc(CSc3cccc(Cl)c3Cl)n2)CCC(C)(C)C1.Cc1cccc(SCc2cccc(C(=O)N3C(C)CCC3C)n2)c1Cl
• InChI: InChI=1S/C24H30Cl2N2OS.C22H27ClN2OS.C20H23ClN2OS.C18H21ClN2OS.C16H13Cl2F3N2S/c1-5-24(4)15-23(2,3)12-13-28(16-24)22(29)19-10-6-8-17(27-19)14-30-20-11-7-9-18(25)21(20)26;1-4-17-12-11-16(3)25(13-17)22(26)19-9-6-8-18(24-19)14-27-20-10-5-7-15(2)21(20)23;1-13-6-4-9-18(19(13)21)25-12-16-7-5-8-17(22-16)20(24)23-14(2)10-11-15(23)3;1-4-21(5-2)18(22)15-10-7-9-14(20-15)12-23-16-11-6-8-13(3)17(16)19;1-10(22-9-16(19,20)21)13-6-2-4-11(23-13)8-24-14-7-3-5-12(17)15(14)18/h6-11H,5,12-16H2,1-4H3;5-10,16-17H,4,11-14H2,1-3H3;4-9,14-15H,10-12H2,1-3H3;6-11H,4-5,12H2,1-3H3;2-7,22H,1,8-9H2/t24-;;;;/m1..../s1
• InChIKey: ANTJLIYZEVOWBP-YATFKFJDSA-N
• XLogP: 29.32
• TPSA: 157.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1985.58
LogP ≤ 5	29.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone?

The IUPAC name of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone (CID 157173627) is 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone.

What is the SMILES notation for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone?

The canonical SMILES for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone is C=C(NCC(F)(F)F)c1cccc(CSc2cccc(Cl)c2Cl)n1.CCC1CCC(C)N(C(=O)c2cccc(CSc3cccc(C)c3Cl)n2)C1.CCN(CC)C(=O)c1cccc(CSc2cccc(C)c2Cl)n1.CC[C@@]1(C)CN(C(=O)c2cccc(CSc3cccc(Cl)c3Cl)n2)CCC(C)(C)C1.Cc1cccc(SCc2cccc(C(=O)N3C(C)CCC3C)n2)c1Cl.

What is the InChIKey of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone?

The InChIKey is ANTJLIYZEVOWBP-YATFKFJDSA-N. The full InChI is InChI=1S/C24H30Cl2N2OS.C22H27ClN2OS.C20H23ClN2OS.C18H21ClN2OS.C16H13Cl2F3N2S/c1-5-24(4)15-23(2,3)12-13-28(16-24)22(29)19-10-6-8-17(27-19)14-30-20-11-7-9-18(25)21(20)26;1-4-17-12-11-16(3)25(13-17)22(26)19-9-6-8-18(24-19)14-27-20-10-5-7-15(2)21(20)23;1-13-6-4-9-18(19(13)21)25-12-16-7-5-8-17(22-16)20(24)23-14(2)10-11-15(23)3;1-4-21(5-2)18(22)15-10-7-9-14(20-15)12-23-16-11-6-8-13(3)17(16)19;1-10(22-9-16(19,20)21)13-6-2-4-11(23-13)8-24-14-7-3-5-12(17)15(14)18/h6-11H,5,12-16H2,1-4H3;5-10,16-17H,4,11-14H2,1-3H3;4-9,14-15H,10-12H2,1-3H3;6-11H,4-5,12H2,1-3H3;2-7,22H,1,8-9H2/t24-;;;;/m1..../s1.

What are the key properties of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone?

6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone has a molecular weight of 1985.58 g/mol, XLogP of 29.32, 26 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone is sourced from PubChem (CID 157173627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).