N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide

C114H134N28O18S4 — CID 158900574

About N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide

N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide (PubChem CID 158900574) has the molecular formula C114H134N28O18S4 and a molecular weight of 2312.77 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide
• PubChem CID: 158900574
• Molecular Formula: C114H134N28O18S4
• Molecular Weight: 2312.77 g/mol
• Exact Mass: 2310.93
• IUPAC Name: N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide
• SMILES: C=CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCO)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)C1(CC1)CN2
• InChI: InChI=1S/C31H33N7O4S.C28H35N7O5S.C28H33N7O4S.C27H33N7O5S/c1-41-25-19-22(38-15-17-42-18-16-38)11-12-23(25)34-30-35-28-27(31(13-14-31)20-32-28)29(36-30)33-24-9-5-6-10-26(24)43(39,40)37-21-7-3-2-4-8-21;1-38-14-11-30-41(36,37)23-6-4-3-5-21(23)31-26-24-25(29-18-28(24)9-10-28)33-27(34-26)32-20-8-7-19(17-22(20)39-2)35-12-15-40-16-13-35;1-3-12-30-40(36,37)23-7-5-4-6-21(23)31-26-24-25(29-18-28(24)10-11-28)33-27(34-26)32-20-9-8-19(17-22(20)38-2)35-13-15-39-16-14-35;1-38-21-16-18(34-11-14-39-15-12-34)6-7-19(21)31-26-32-24-23(27(8-9-27)17-28-24)25(33-26)30-20-4-2-3-5-22(20)40(36,37)29-10-13-35/h2-12,19,37H,13-18,20H2,1H3,(H3,32,33,34,35,36);3-8,17,30H,9-16,18H2,1-2H3,(H3,29,31,32,33,34);3-9,17,30H,1,10-16,18H2,2H3,(H3,29,31,32,33,34);2-7,16,29,35H,8-15,17H2,1H3,(H3,28,30,31,32,33)
• InChIKey: JFJWGLBKBODIDG-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 548.42 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.77
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide?

The IUPAC name of N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide (CID 158900574) is N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide.

What is the SMILES notation for N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide?

The canonical SMILES for N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCO)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)C1(CC1)CN2.

What is the InChIKey of N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide?

The InChIKey is JFJWGLBKBODIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O4S.C28H35N7O5S.C28H33N7O4S.C27H33N7O5S/c1-41-25-19-22(38-15-17-42-18-16-38)11-12-23(25)34-30-35-28-27(31(13-14-31)20-32-28)29(36-30)33-24-9-5-6-10-26(24)43(39,40)37-21-7-3-2-4-8-21;1-38-14-11-30-41(36,37)23-6-4-3-5-21(23)31-26-24-25(29-18-28(24)9-10-28)33-27(34-26)32-20-8-7-19(17-22(20)39-2)35-12-15-40-16-13-35;1-3-12-30-40(36,37)23-7-5-4-6-21(23)31-26-24-25(29-18-28(24)10-11-28)33-27(34-26)32-20-9-8-19(17-22(20)38-2)35-13-15-39-16-14-35;1-38-21-16-18(34-11-14-39-15-12-34)6-7-19(21)31-26-32-24-23(27(8-9-27)17-28-24)25(33-26)30-20-4-2-3-5-22(20)40(36,37)29-10-13-35/h2-12,19,37H,13-18,20H2,1H3,(H3,32,33,34,35,36);3-8,17,30H,9-16,18H2,1-2H3,(H3,29,31,32,33,34);3-9,17,30H,1,10-16,18H2,2H3,(H3,29,31,32,33,34);2-7,16,29,35H,8-15,17H2,1H3,(H3,28,30,31,32,33).

What are the key properties of N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide?

N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 2312.77 g/mol, XLogP of 14.52, 40 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;N-(2-methoxyethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-phenylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 158900574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).