C198H344Cl3N25O25S7 — CID 160638965
N-(15-amino-6-oxopentadecyl)-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-4-methylbenzenesulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-2,3,4-trichlorobenzenesulfonamide;N'-[9-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylnonyl]propane-1,3-diamine;tert-butyl N-[12-(3-aminopropylamino)-1-(1H-indol-2-yl)-3-oxododecan-2-yl]carbamate;tert-butyl N-[15-(3-aminopropylamino)-6-oxopentadecyl]carbamate;tert-butyl N-[11-(3-aminopropylamino)-2-oxoundecyl]carbamate (PubChem CID 160638965) has the molecular formula C198H344Cl3N25O25S7 and a molecular weight of 3805.91 g/mol. Its IUPAC name is N-(15-amino-6-oxopentadecyl)-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-4-methylbenzenesulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-2,3,4-trichlorobenzenesulfonamide;N'-[9-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylnonyl]propane-1,3-diamine;tert-butyl N-[12-(3-aminopropylamino)-1-(1H-indol-2-yl)-3-oxododecan-2-yl]carbamate;tert-butyl N-[15-(3-aminopropylamino)-6-oxopentadecyl]carbamate;tert-butyl N-[11-(3-aminopropylamino)-2-oxoundecyl]carbamate.
| Compound Name | N-(15-amino-6-oxopentadecyl)-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-4-methylbenzenesulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-2,3,4-trichlorobenzenesulfonamide;N'-[9-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylnonyl]propane-1,3-diamine;tert-butyl N-[12-(3-aminopropylamino)-1-(1H-indol-2-yl)-3-oxododecan-2-yl]carbamate;tert-butyl N-[15-(3-aminopropylamino)-6-oxopentadecyl]carbamate;tert-butyl N-[11-(3-aminopropylamino)-2-oxoundecyl]carbamate |
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| PubChem CID | 160638965 |
| Molecular Formula | C198H344Cl3N25O25S7 |
| Molecular Weight | 3805.91 g/mol |
| Exact Mass | 3801.35 |
| IUPAC Name | N-(15-amino-6-oxopentadecyl)-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-5-(dimethylamino)naphthalene-1-sulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-4-methylbenzenesulfonamide;N-[15-(3-aminopropylamino)-6-oxopentadecyl]-2,3,4-trichlorobenzenesulfonamide;N'-[9-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylnonyl]propane-1,3-diamine;tert-butyl N-[12-(3-aminopropylamino)-1-(1H-indol-2-yl)-3-oxododecan-2-yl]carbamate;tert-butyl N-[15-(3-aminopropylamino)-6-oxopentadecyl]carbamate;tert-butyl N-[11-(3-aminopropylamino)-2-oxoundecyl]carbamate |
| SMILES | CC(C)(C)OC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)CCCCCCCCCNCCCN.CC(C)(C)OC(=O)NCC(=O)CCCCCCCCCNCCCN.CC(C)(C)OC(=O)NCCCCCC(=O)CCCCCCCCCNCCCN.CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)CCCCCCCCCN)cccc12.CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)CCCCCCCCCNCCCN)cccc12.Cc1ccc(S(=O)(=O)NCCCCCC(=O)CCCCCCCCCNCCCN)cc1.NCCCNCCCCCCCCCC(=O)CCCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl.NCCCNCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 |
| InChI | InChI=1S/C30H50N4O3S.C28H46N4O3.C27H43N3O3S.C25H45N3O3S.C24H40Cl3N3O3S.C23H47N3O3.C22H34N2O4S3.C19H39N3O3/c1-34(2)29-20-13-19-28-27(29)18-14-21-30(28)38(36,37)33-25-12-8-10-17-26(35)16-9-6-4-3-5-7-11-23-32-24-15-22-31;1-28(2,3)35-27(34)32-25(21-23-20-22-14-10-11-15-24(22)31-23)26(33)16-9-7-5-4-6-8-12-18-30-19-13-17-29;1-30(2)26-19-13-18-25-24(26)17-14-20-27(25)34(32,33)29-22-12-8-10-16-23(31)15-9-6-4-3-5-7-11-21-28;1-23-15-17-25(18-16-23)32(30,31)28-22-11-7-9-14-24(29)13-8-5-3-2-4-6-10-20-27-21-12-19-26;25-21-14-15-22(24(27)23(21)26)34(32,33)30-19-10-6-8-13-20(31)12-7-4-2-1-3-5-9-17-29-18-11-16-28;1-23(2,3)29-22(28)26-20-13-9-11-16-21(27)15-10-7-5-4-6-8-12-18-25-19-14-17-24;23-16-11-18-24-17-9-4-2-1-3-5-10-19-30(25,26)21-14-15-22(29-21)31(27,28)20-12-7-6-8-13-20;1-19(2,3)25-18(24)22-16-17(23)12-9-7-5-4-6-8-10-14-21-15-11-13-20/h13-14,18-21,32-33H,3-12,15-17,22-25,31H2,1-2H3;10-11,14-15,20,25,30-31H,4-9,12-13,16-19,21,29H2,1-3H3,(H,32,34);13-14,17-20,29H,3-12,15-16,21-22,28H2,1-2H3;15-18,27-28H,2-14,19-22,26H2,1H3;14-15,29-30H,1-13,16-19,28H2;25H,4-20,24H2,1-3H3,(H,26,28);6-8,12-15,24H,1-5,9-11,16-19,23H2;21H,4-16,20H2,1-3H3,(H,22,24) |
| InChIKey | RIXKNHYYQDSKAY-UHFFFAOYSA-N |
| XLogP | 38.44 |
| TPSA | 802.08 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 149 |
| Heavy Atoms | 258 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3805.91 |
| LogP ≤ 5 | 38.44 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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