2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide

C120H135N15O17S6 — CID 162205785

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1
InChIInChI=1S/C31H36N4O4S2.C30H34N4O4S.C30H33N3O5S.C29H32N4O4S2/c1-21(2)34-12-10-33(11-13-34)9-8-29(37)32-22-6-7-26-28(18-22)40-27-5-3-4-24(31(27)41-26)25-19-23(36)20-30(39-25)35-14-16-38-17-15-35;1-32-9-11-33(12-10-32)8-7-28(36)31-23-5-6-27-22(18-23)17-21-3-2-4-25(30(21)39-27)26-19-24(35)20-29(38-26)34-13-15-37-16-14-34;1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33;1-31-9-11-32(12-10-31)8-7-27(35)30-20-5-6-24-26(17-20)38-25-4-2-3-22(29(25)39-24)23-18-21(34)19-28(37-23)33-13-15-36-16-14-33/h3-7,18-21H,8-17H2,1-2H3,(H,32,37);2-6,18-20H,7-17H2,1H3,(H,31,36);3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35);2-6,17-19H,7-16H2,1H3,(H,30,35)/t;;19-,20+;
InChIKeyZSEAVVJIERBZTO-RSTUMXBSSA-N
MW2251.89 g/mol
LogP17.47
Rot. Bonds24

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide (PubChem CID 162205785) has the molecular formula C120H135N15O17S6 and a molecular weight of 2251.89 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
PubChem CID162205785
Molecular FormulaC120H135N15O17S6
Molecular Weight2251.89 g/mol
Exact Mass2249.85
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1
InChIInChI=1S/C31H36N4O4S2.C30H34N4O4S.C30H33N3O5S.C29H32N4O4S2/c1-21(2)34-12-10-33(11-13-34)9-8-29(37)32-22-6-7-26-28(18-22)40-27-5-3-4-24(31(27)41-26)25-19-23(36)20-30(39-25)35-14-16-38-17-15-35;1-32-9-11-33(12-10-32)8-7-28(36)31-23-5-6-27-22(18-23)17-21-3-2-4-25(30(21)39-27)26-19-24(35)20-29(38-26)34-13-15-37-16-14-34;1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33;1-31-9-11-32(12-10-31)8-7-27(35)30-20-5-6-24-26(17-20)38-25-4-2-3-22(29(25)39-24)23-18-21(34)19-28(37-23)33-13-15-36-16-14-33/h3-7,18-21H,8-17H2,1-2H3,(H,32,37);2-6,18-20H,7-17H2,1H3,(H,31,36);3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35);2-6,17-19H,7-16H2,1H3,(H,30,35)/t;;19-,20+;
InChIKeyZSEAVVJIERBZTO-RSTUMXBSSA-N
XLogP17.47
TPSA319.03 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.89
LogP ≤ 517.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
CID 89223086
2-[7-[[4-(4-methylpiperazin-1-yl)-2-oxobutyl]amino]thianthren-1-yl]-6-morpholin-4-ylpyran-4-one
CID 153343108
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9,10-dihydroanthracen-2-yl]acetamide
CID 166570954
2-[7-[(3-methyloxetan-3-yl)methylamino]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
CID 162662085
sodium 6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthrene-2-carboxylate
CID 23662742
6-[7-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468101
2-morpholin-4-yl-6-[7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]-9H-thioxanthen-4-yl]pyran-4-one
CID 162659579
6-[7-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394369
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
4-morpholin-4-yl-6-[7-(4-morpholin-4-ylbutan-2-ylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 121394592
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68758201
6-[7-[1-[(2S)-2-methylmorpholin-4-yl]propan-2-ylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468132

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide (CID 162205785) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide is CC(C)N1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.CN1CCN(CCC(=O)Nc2ccc3c(c2)Sc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC1.C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is ZSEAVVJIERBZTO-RSTUMXBSSA-N. The full InChI is InChI=1S/C31H36N4O4S2.C30H34N4O4S.C30H33N3O5S.C29H32N4O4S2/c1-21(2)34-12-10-33(11-13-34)9-8-29(37)32-22-6-7-26-28(18-22)40-27-5-3-4-24(31(27)41-26)25-19-23(36)20-30(39-25)35-14-16-38-17-15-35;1-32-9-11-33(12-10-32)8-7-28(36)31-23-5-6-27-22(18-23)17-21-3-2-4-25(30(21)39-27)26-19-24(35)20-29(38-26)34-13-15-37-16-14-34;1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33;1-31-9-11-32(12-10-31)8-7-27(35)30-20-5-6-24-26(17-20)38-25-4-2-3-22(29(25)39-24)23-18-21(34)19-28(37-23)33-13-15-36-16-14-33/h3-7,18-21H,8-17H2,1-2H3,(H,32,37);2-6,18-20H,7-17H2,1H3,(H,31,36);3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35);2-6,17-19H,7-16H2,1H3,(H,30,35)/t;;19-,20+;.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 2251.89 g/mol, XLogP of 17.47, 24 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide;3-(4-methylpiperazin-1-yl)-N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]propanamide;3-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]propanamide;N-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 162205785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).