(2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)

C218H256N40O16S2 — CID 159191966

About (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)

(2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide) (PubChem CID 159191966) has the molecular formula C218H256N40O16S2 and a molecular weight of 3756.84 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide).

Molecular Properties

• Compound Name: (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)
• PubChem CID: 159191966
• Molecular Formula: C218H256N40O16S2
• Molecular Weight: 3756.84 g/mol
• Exact Mass: 3753.99
• IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)
• SMILES: COc1cccc([C@@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.COc1cccc([C@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(=O)N(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(=O)N(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.O=S=O.O=S=O
• InChI: InChI=1S/2C28H33N5O2.2C27H29N5O2.4C27H33N5O.2O2S/c2*1-21-8-10-22(11-9-21)14-16-29-27(23-6-4-3-5-7-23)28(35)31-25-13-12-24(20-30-25)33-17-15-26(34)32(2)18-19-33;2*1-19-7-9-20(10-8-19)13-14-28-26(21-5-4-6-24(15-21)34-3)27(33)31-25-12-11-22(16-29-25)23-17-30-32(2)18-23;4*1-21-8-10-22(11-9-21)14-15-28-26(23-6-4-3-5-7-23)27(33)30-25-13-12-24(20-29-25)32-18-16-31(2)17-19-32;2*1-3-2/h2*3-13,20,27,29H,14-19H2,1-2H3,(H,30,31,35);2*4-12,15-18,26,28H,13-14H2,1-3H3,(H,29,31,33);4*3-13,20,26,28H,14-19H2,1-2H3,(H,29,30,33);;/t2*27-;6*26-;;/m10101100../s1
• InChIKey: KOETVYVVILULON-NOXFQLFYSA-N
• XLogP: 29.04
• TPSA: 627.56 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 46
• Rotatable Bonds: 66
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3756.84
LogP ≤ 5	29.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)?

The IUPAC name of (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide) (CID 159191966) is (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide).

What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)?

The canonical SMILES for (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide) is COc1cccc([C@@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.COc1cccc([C@H](NCCc2ccc(C)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(=O)N(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(=O)N(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2ccccc2)cc1.O=S=O.O=S=O.

What is the InChIKey of (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)?

The InChIKey is KOETVYVVILULON-NOXFQLFYSA-N. The full InChI is InChI=1S/2C28H33N5O2.2C27H29N5O2.4C27H33N5O.2O2S/c2*1-21-8-10-22(11-9-21)14-16-29-27(23-6-4-3-5-7-23)28(35)31-25-13-12-24(20-30-25)33-17-15-26(34)32(2)18-19-33;2*1-19-7-9-20(10-8-19)13-14-28-26(21-5-4-6-24(15-21)34-3)27(33)31-25-12-11-22(16-29-25)23-17-30-32(2)18-23;4*1-21-8-10-22(11-9-21)14-15-28-26(23-6-4-3-5-7-23)27(33)30-25-13-12-24(20-29-25)32-18-16-31(2)17-19-32;2*1-3-2/h2*3-13,20,27,29H,14-19H2,1-2H3,(H,30,31,35);2*4-12,15-18,26,28H,13-14H2,1-3H3,(H,29,31,33);4*3-13,20,26,28H,14-19H2,1-2H3,(H,29,30,33);;/t2*27-;6*26-;;/m10101100../s1.

What are the key properties of (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)?

(2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide) has a molecular weight of 3756.84 g/mol, XLogP of 29.04, 66 rotatable bonds, 16 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide) is sourced from PubChem (CID 159191966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).