N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one

C74H104N10O13S2 — CID 159521243

About N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one

N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one (PubChem CID 159521243) has the molecular formula C74H104N10O13S2 and a molecular weight of 1405.84 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one
• PubChem CID: 159521243
• Molecular Formula: C74H104N10O13S2
• Molecular Weight: 1405.84 g/mol
• Exact Mass: 1404.72
• IUPAC Name: N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one
• SMILES: COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCC(CN3Cc4ccccc4C3=O)(N3CCN(C4CC4)CC3)CC2)C2CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)O)C2CC2)c(C)c1.O=C1c2ccccc2CN1CC1(N2CCN(C3CC3)CC2)CCNCC1
• InChI: InChI=1S/C37H51N5O6S.C21H30N4O.C16H23NO6S/c1-27-22-32(47-3)23-28(2)35(27)49(45,46)42(31-10-11-31)20-21-48-25-34(43)39-14-12-37(13-15-39,41-18-16-38(17-19-41)30-8-9-30)26-40-24-29-6-4-5-7-33(29)36(40)44;26-20-19-4-2-1-3-17(19)15-24(20)16-21(7-9-22-10-8-21)25-13-11-23(12-14-25)18-5-6-18;1-11-8-14(22-3)9-12(2)16(11)24(20,21)17(13-4-5-13)6-7-23-10-15(18)19/h4-7,22-23,30-31H,8-21,24-26H2,1-3H3;1-4,18,22H,5-16H2;8-9,13H,4-7,10H2,1-3H3,(H,18,19)
• InChIKey: MBVDFLCWPPQUJQ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 234.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.84
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one?

The IUPAC name of N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one (CID 159521243) is N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one.

What is the SMILES notation for N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one?

The canonical SMILES for N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one is COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCC(CN3Cc4ccccc4C3=O)(N3CCN(C4CC4)CC3)CC2)C2CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)O)C2CC2)c(C)c1.O=C1c2ccccc2CN1CC1(N2CCN(C3CC3)CC2)CCNCC1.

What is the InChIKey of N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one?

The InChIKey is MBVDFLCWPPQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N5O6S.C21H30N4O.C16H23NO6S/c1-27-22-32(47-3)23-28(2)35(27)49(45,46)42(31-10-11-31)20-21-48-25-34(43)39-14-12-37(13-15-39,41-18-16-38(17-19-41)30-8-9-30)26-40-24-29-6-4-5-7-33(29)36(40)44;26-20-19-4-2-1-3-17(19)15-24(20)16-21(7-9-22-10-8-21)25-13-11-23(12-14-25)18-5-6-18;1-11-8-14(22-3)9-12(2)16(11)24(20,21)17(13-4-5-13)6-7-23-10-15(18)19/h4-7,22-23,30-31H,8-21,24-26H2,1-3H3;1-4,18,22H,5-16H2;8-9,13H,4-7,10H2,1-3H3,(H,18,19).

What are the key properties of N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one?

N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one has a molecular weight of 1405.84 g/mol, XLogP of 6.39, 26 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[2-[4-(4-cyclopropylpiperazin-1-yl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;2-[[4-(4-cyclopropylpiperazin-1-yl)piperidin-4-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159521243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).