N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate

C140H206ClN17O32S3 — CID 91386790

About N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate

N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate (PubChem CID 91386790) has the molecular formula C140H206ClN17O32S3 and a molecular weight of 2770.93 g/mol. Its IUPAC name is N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate.

Molecular Properties

• Compound Name: N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate
• PubChem CID: 91386790
• Molecular Formula: C140H206ClN17O32S3
• Molecular Weight: 2770.93 g/mol
• Exact Mass: 2768.39
• IUPAC Name: N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate
• SMILES: CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(OC)N(C)C2=O)c1.CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)CN(Cc3ccccc3)C2=O)c1.CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.COc1cc(Cl)c(NC(=O)C(C)C)cc1NC(=O)C(C(=O)C1(C)CC1)N1C(=O)C(OC)N(C)C1=O
• InChI: InChI=1S/C42H63N5O8S.C40H58N4O8S.C35H56N4O9S.C23H29ClN4O7/c1-8-10-12-13-14-15-16-17-18-22-28-55-56(53)30-31(3)38(49)43-32-25-26-35(54-7)34(29-32)44-39(50)36(37(48)42(4,5)6)46-40(51)45(27-11-9-2)47(41(46)52)33-23-20-19-21-24-33;1-7-8-9-10-11-12-13-14-15-19-24-52-53(50)28-29(2)37(47)41-31-22-23-33(51-6)32(25-31)42-38(48)35(36(46)40(3,4)5)44-34(45)27-43(39(44)49)26-30-20-17-16-18-21-30;1-9-10-11-12-13-14-15-16-17-18-21-48-49(45)23-24(2)30(41)36-25-19-20-27(46-7)26(22-25)37-31(42)28(29(40)35(3,4)5)39-32(43)33(47-8)38(6)34(39)44;1-11(2)18(30)25-13-10-14(15(34-5)9-12(13)24)26-19(31)16(17(29)23(3)7-8-23)28-20(32)21(35-6)27(4)22(28)33/h19-21,23-26,29,31,36H,8-18,22,27-28,30H2,1-7H3,(H,43,49)(H,44,50);16-18,20-23,25,29,35H,7-15,19,24,26-28H2,1-6H3,(H,41,47)(H,42,48);19-20,22,24,28,33H,9-18,21,23H2,1-8H3,(H,36,41)(H,37,42);9-11,16,21H,7-8H2,1-6H3,(H,25,30)(H,26,31)
• InChIKey: SSPUOXFXZRRJME-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 606.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 79
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2770.93
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate?

The IUPAC name of N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate (CID 91386790) is N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate.

What is the SMILES notation for N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate?

The canonical SMILES for N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate is CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(OC)N(C)C2=O)c1.CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)CN(Cc3ccccc3)C2=O)c1.CCCCCCCCCCCCOS(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.COc1cc(Cl)c(NC(=O)C(C)C)cc1NC(=O)C(C(=O)C1(C)CC1)N1C(=O)C(OC)N(C)C1=O.

What is the InChIKey of N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate?

The InChIKey is SSPUOXFXZRRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H63N5O8S.C40H58N4O8S.C35H56N4O9S.C23H29ClN4O7/c1-8-10-12-13-14-15-16-17-18-22-28-55-56(53)30-31(3)38(49)43-32-25-26-35(54-7)34(29-32)44-39(50)36(37(48)42(4,5)6)46-40(51)45(27-11-9-2)47(41(46)52)33-23-20-19-21-24-33;1-7-8-9-10-11-12-13-14-15-19-24-52-53(50)28-29(2)37(47)41-31-22-23-33(51-6)32(25-31)42-38(48)35(36(46)40(3,4)5)44-34(45)27-43(39(44)49)26-30-20-17-16-18-21-30;1-9-10-11-12-13-14-15-16-17-18-21-48-49(45)23-24(2)30(41)36-25-19-20-27(46-7)26(22-25)37-31(42)28(29(40)35(3,4)5)39-32(43)33(47-8)38(6)34(39)44;1-11(2)18(30)25-13-10-14(15(34-5)9-12(13)24)26-19(31)16(17(29)23(3)7-8-23)28-20(32)21(35-6)27(4)22(28)33/h19-21,23-26,29,31,36H,8-18,22,27-28,30H2,1-7H3,(H,43,49)(H,44,50);16-18,20-23,25,29,35H,7-15,19,24,26-28H2,1-6H3,(H,41,47)(H,42,48);19-20,22,24,28,33H,9-18,21,23H2,1-8H3,(H,36,41)(H,37,42);9-11,16,21H,7-8H2,1-6H3,(H,25,30)(H,26,31).

What are the key properties of N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate?

N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate has a molecular weight of 2770.93 g/mol, XLogP of 22.98, 79 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-methoxy-5-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]phenyl]-2-methylpropanamide;dodecyl 3-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyanilino]-2-methyl-3-oxopropane-1-sulfinate;dodecyl 3-[4-methoxy-3-[[2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]anilino]-2-methyl-3-oxopropane-1-sulfinate is sourced from PubChem (CID 91386790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).