3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide

C132H118F13N10O22S8-3 — CID 160924069

About 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide

3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide (PubChem CID 160924069) has the molecular formula C132H118F13N10O22S8-3 and a molecular weight of 2699.95 g/mol. Its IUPAC name is 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide.

Molecular Properties

• Compound Name: 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide
• PubChem CID: 160924069
• Molecular Formula: C132H118F13N10O22S8-3
• Molecular Weight: 2699.95 g/mol
• Exact Mass: 2697.60
• IUPAC Name: 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide
• SMILES: C=CC(=O)OCCNC(=O)OCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[N-]S(=O)(=O)CCCNc2ccc(C(c3ccc(N(CC)CC)cc3)=c3ccc(=C)cc3)c3ccccc23)c(F)c1F.C=CC(=O)OCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[N-]S(=O)(=O)CCCNc2ccc(C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3ccc(=C)cc3)c3ccccc23)c(F)c1F.C=c1ccc(=C(c2ccc(N(CC)CC)cc2)c2ccc(NCCCS(=O)(=O)[N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)c3ccccc23)cc1
• InChI: InChI=1S/C50H40F4N3O8S3.C45H45F4N4O10S3.C37H33F5N3O4S2/c1-3-43(58)65-30-32-66(59,60)49-45(51)47(53)50(48(54)46(49)52)68(63,64)56-67(61,62)31-12-29-55-42-28-27-41(39-17-10-11-18-40(39)42)44(34-21-19-33(2)20-22-34)35-23-25-38(26-24-35)57(36-13-6-4-7-14-36)37-15-8-5-9-16-37;1-5-37(54)62-25-24-51-45(55)63-26-28-64(56,57)43-39(46)41(48)44(42(49)40(43)47)66(60,61)52-65(58,59)27-10-23-50-36-22-21-35(33-11-8-9-12-34(33)36)38(30-15-13-29(4)14-16-30)31-17-19-32(20-18-31)53(6-2)7-3;1-4-45(5-2)26-17-15-25(16-18-26)31(24-13-11-23(3)12-14-24)29-19-20-30(28-10-7-6-9-27(28)29)43-21-8-22-50(46,47)44-51(48,49)37-35(41)33(39)32(38)34(40)36(37)42/h3-11,13-28,55H,1-2,12,29-32H2;5,8-9,11-22,50H,1,4,6-7,10,23-28H2,2-3H3,(H,51,55);6-7,9-20,43H,3-5,8,21-22H2,1-2H3/q3*-1
• InChIKey: SSKLDOXSXDDPKO-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 452.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 52
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2699.95
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide?

The IUPAC name of 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide (CID 160924069) is 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide.

What is the SMILES notation for 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide?

The canonical SMILES for 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide is C=CC(=O)OCCNC(=O)OCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[N-]S(=O)(=O)CCCNc2ccc(C(c3ccc(N(CC)CC)cc3)=c3ccc(=C)cc3)c3ccccc23)c(F)c1F.C=CC(=O)OCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[N-]S(=O)(=O)CCCNc2ccc(C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3ccc(=C)cc3)c3ccccc23)c(F)c1F.C=c1ccc(=C(c2ccc(N(CC)CC)cc2)c2ccc(NCCCS(=O)(=O)[N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)c3ccccc23)cc1.

What is the InChIKey of 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide?

The InChIKey is SSKLDOXSXDDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40F4N3O8S3.C45H45F4N4O10S3.C37H33F5N3O4S2/c1-3-43(58)65-30-32-66(59,60)49-45(51)47(53)50(48(54)46(49)52)68(63,64)56-67(61,62)31-12-29-55-42-28-27-41(39-17-10-11-18-40(39)42)44(34-21-19-33(2)20-22-34)35-23-25-38(26-24-35)57(36-13-6-4-7-14-36)37-15-8-5-9-16-37;1-5-37(54)62-25-24-51-45(55)63-26-28-64(56,57)43-39(46)41(48)44(42(49)40(43)47)66(60,61)52-65(58,59)27-10-23-50-36-22-21-35(33-11-8-9-12-34(33)36)38(30-15-13-29(4)14-16-30)31-17-19-32(20-18-31)53(6-2)7-3;1-4-45(5-2)26-17-15-25(16-18-26)31(24-13-11-23(3)12-14-24)29-19-20-30(28-10-7-6-9-27(28)29)43-21-8-22-50(46,47)44-51(48,49)37-35(41)33(39)32(38)34(40)36(37)42/h3-11,13-28,55H,1-2,12,29-32H2;5,8-9,11-22,50H,1,4,6-7,10,23-28H2,2-3H3,(H,51,55);6-7,9-20,43H,3-5,8,21-22H2,1-2H3/q3*-1.

What are the key properties of 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide?

3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide has a molecular weight of 2699.95 g/mol, XLogP of 21.88, 52 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide is sourced from PubChem (CID 160924069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).