N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane

C115H84Cl10N20O8S4 — CID 158561348

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane (PubChem CID 158561348) has the molecular formula C115H84Cl10N20O8S4 and a molecular weight of 2356.87 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane.

Molecular Properties

• Compound Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane
• PubChem CID: 158561348
• Molecular Formula: C115H84Cl10N20O8S4
• Molecular Weight: 2356.87 g/mol
• Exact Mass: 2350.25
• IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane
• SMILES: CC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1.Clc1ccc(-n2nc(-c3cccnc3)cc2-c2cccs2)cc1Cl.NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1.NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1.O=C1CCCN1c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1.O=C=O.S
• InChI: InChI=1S/C30H23Cl2N5O2.C28H21Cl2N5O2S.C20H13Cl2N3OS.C18H14Cl2N4O.C18H11Cl2N3S.CO2.H2S/c31-24-13-12-23(16-25(24)32)37-28(17-26(36-37)22-7-4-14-34-18-22)20-8-10-21(11-9-20)30(39)35-27(29(33)38)15-19-5-2-1-3-6-19;29-20-9-8-19(14-21(20)30)35-24(15-22(34-35)18-7-4-12-32-16-18)25-10-11-26(38-25)28(37)33-23(27(31)36)13-17-5-2-1-3-6-17;1-12(26)19-6-7-20(27-19)18-10-17(13-3-2-8-23-11-13)24-25(18)14-4-5-15(21)16(22)9-14;19-14-6-5-13(9-15(14)20)24-17(23-8-2-4-18(23)25)10-16(22-24)12-3-1-7-21-11-12;19-14-6-5-13(9-15(14)20)23-17(18-4-2-8-24-18)10-16(22-23)12-3-1-7-21-11-12;2-1-3;/h1-14,16-18,27H,15H2,(H2,33,38)(H,35,39);1-12,14-16,23H,13H2,(H2,31,36)(H,33,37);2-11H,1H3;1,3,5-7,9-11H,2,4,8H2;1-11H;;1H2/t;23-;;;;;/m.0...../s1
• InChIKey: HQXSLDMJUXEJRA-AJOIGAMNSA-N
• XLogP: 27.57
• TPSA: 369.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.87
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane?

The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane (CID 158561348) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane.

What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane?

The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane is CC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1.Clc1ccc(-n2nc(-c3cccnc3)cc2-c2cccs2)cc1Cl.NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1.NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1.O=C1CCCN1c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1.O=C=O.S.

What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane?

The InChIKey is HQXSLDMJUXEJRA-AJOIGAMNSA-N. The full InChI is InChI=1S/C30H23Cl2N5O2.C28H21Cl2N5O2S.C20H13Cl2N3OS.C18H14Cl2N4O.C18H11Cl2N3S.CO2.H2S/c31-24-13-12-23(16-25(24)32)37-28(17-26(36-37)22-7-4-14-34-18-22)20-8-10-21(11-9-20)30(39)35-27(29(33)38)15-19-5-2-1-3-6-19;29-20-9-8-19(14-21(20)30)35-24(15-22(34-35)18-7-4-12-32-16-18)25-10-11-26(38-25)28(37)33-23(27(31)36)13-17-5-2-1-3-6-17;1-12(26)19-6-7-20(27-19)18-10-17(13-3-2-8-23-11-13)24-25(18)14-4-5-15(21)16(22)9-14;19-14-6-5-13(9-15(14)20)24-17(23-8-2-4-18(23)25)10-16(22-24)12-3-1-7-21-11-12;19-14-6-5-13(9-15(14)20)23-17(18-4-2-8-24-18)10-16(22-23)12-3-1-7-21-11-12;2-1-3;/h1-14,16-18,27H,15H2,(H2,33,38)(H,35,39);1-12,14-16,23H,13H2,(H2,31,36)(H,33,37);2-11H,1H3;1,3,5-7,9-11H,2,4,8H2;1-11H;;1H2/t;23-;;;;;/m.0...../s1.

What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane?

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane has a molecular weight of 2356.87 g/mol, XLogP of 27.57, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide;N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophene-2-carboxamide;carbon dioxide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;1-[5-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]thiophen-2-yl]ethanone;3-[1-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyridine;sulfane is sourced from PubChem (CID 158561348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).