4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium

C80H104ClF2N10O10S2U- — CID 161396262

IUPAC4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium
SMILESCC1CCC(CCOO)CC1.Cc1ccc(N)c(N)c1.Cc1ccc2nc(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.NCCCCCS(=O)(=O)Nc1ccc2[c-]c(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl.[U]
InChIInChI=1S/C28H36FN4O3S.C23H26FN3O.C13H14ClNO4S.C9H18O2.C7H10N2.U/c29-26-7-3-2-6-23(26)19-31-28(34)21-10-8-20(9-11-21)16-25-17-22-12-13-24(18-27(22)32-25)33-37(35,36)15-5-1-4-14-30;1-15-6-11-20-21(12-15)27-22(26-20)13-16-7-9-17(10-8-16)23(28)25-14-18-4-2-3-5-19(18)24;14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-8-2-4-9(5-3-8)6-7-11-10;1-5-2-3-6(8)7(9)4-5;/h2-3,6-7,12-13,18,20-21,32-33H,1,4-5,8-11,14-16,19,30H2,(H,31,34);2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,28)(H,26,27);2-3,6-7H,1,4-5,8-9H2;8-10H,2-7H2,1H3;2-4H,8-9H2,1H3;/q-1;;;;;
InChIKeyVTQGHTFNIGPBOB-UHFFFAOYSA-N
MW1741.38 g/mol
LogP15.19
Rot. Bonds26

About 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium

4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium (PubChem CID 161396262) has the molecular formula C80H104ClF2N10O10S2U- and a molecular weight of 1741.38 g/mol. Its IUPAC name is 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium.

Molecular Properties

Compound Name4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium
PubChem CID161396262
Molecular FormulaC80H104ClF2N10O10S2U-
Molecular Weight1741.38 g/mol
Exact Mass1739.75
IUPAC Name4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium
SMILESCC1CCC(CCOO)CC1.Cc1ccc(N)c(N)c1.Cc1ccc2nc(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.NCCCCCS(=O)(=O)Nc1ccc2[c-]c(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl.[U]
InChIInChI=1S/C28H36FN4O3S.C23H26FN3O.C13H14ClNO4S.C9H18O2.C7H10N2.U/c29-26-7-3-2-6-23(26)19-31-28(34)21-10-8-20(9-11-21)16-25-17-22-12-13-24(18-27(22)32-25)33-37(35,36)15-5-1-4-14-30;1-15-6-11-20-21(12-15)27-22(26-20)13-16-7-9-17(10-8-16)23(28)25-14-18-4-2-3-5-19(18)24;14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-8-2-4-9(5-3-8)6-7-11-10;1-5-2-3-6(8)7(9)4-5;/h2-3,6-7,12-13,18,20-21,32-33H,1,4-5,8-11,14-16,19,30H2,(H,31,34);2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,28)(H,26,27);2-3,6-7H,1,4-5,8-9H2;8-10H,2-7H2,1H3;2-4H,8-9H2,1H3;/q-1;;;;;
InChIKeyVTQGHTFNIGPBOB-UHFFFAOYSA-N
XLogP15.19
TPSA327.88 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001741.38
LogP ≤ 515.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium with MolForge

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Related Compounds

4-[[6-[5-(1,3-dioxoisoindol-2-yl)pentylsulfonylamino]-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 18732358
4-[[6-[5-(1,3-dioxoisoindol-2-yl)pentylsulfonylamino]-1H-benzimidazol-2-yl]methyl]-N-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]cyclohexane-1-carboxamide
CID 142062751
2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 160687856
4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;uranium;vanadium
CID 158332714
4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;methane;4-methylbenzene-1,2-diamine;uranium
CID 159206319
4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide;azane;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;2-(4-ethoxycarbonylcyclohexyl)acetic acid;ethyl 4-[[6-(hydroperoxyamino)-1H-benzimidazol-2-yl]methyl]cyclohexane-1-carboxylate;N-[(2-fluorophenyl)methyl]-4-[(6-nitro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;4-nitrobenzene-1,2-diamine;uranium;vanadium
CID 160078876
4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;uranium;vanadium
CID 162019383

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium?
The IUPAC name of 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium (CID 161396262) is 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium.
What is the SMILES notation for 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium?
The canonical SMILES for 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium is CC1CCC(CCOO)CC1.Cc1ccc(N)c(N)c1.Cc1ccc2nc(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.NCCCCCS(=O)(=O)Nc1ccc2[c-]c(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl.[U].
What is the InChIKey of 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium?
The InChIKey is VTQGHTFNIGPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN4O3S.C23H26FN3O.C13H14ClNO4S.C9H18O2.C7H10N2.U/c29-26-7-3-2-6-23(26)19-31-28(34)21-10-8-20(9-11-21)16-25-17-22-12-13-24(18-27(22)32-25)33-37(35,36)15-5-1-4-14-30;1-15-6-11-20-21(12-15)27-22(26-20)13-16-7-9-17(10-8-16)23(28)25-14-18-4-2-3-5-19(18)24;14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-8-2-4-9(5-3-8)6-7-11-10;1-5-2-3-6(8)7(9)4-5;/h2-3,6-7,12-13,18,20-21,32-33H,1,4-5,8-11,14-16,19,30H2,(H,31,34);2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,28)(H,26,27);2-3,6-7H,1,4-5,8-9H2;8-10H,2-7H2,1H3;2-4H,8-9H2,1H3;/q-1;;;;;.
What are the key properties of 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium?
4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium has a molecular weight of 1741.38 g/mol, XLogP of 15.19, 26 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5-aminopentylsulfonylamino)-1,3-dihydroindol-3-id-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;4-methylbenzene-1,2-diamine;uranium is sourced from PubChem (CID 161396262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).