3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide

C130H183N11O29S8 — CID 158329633

IUPAC3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(=O)c1cc2cc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)ccc2oc1=O.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(C)(=O)=O)cc2)CC1.CN1C(=O)c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc2ccc(=O)oc12.Cc1cccc(-c2cnc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C23H31N3O3S.C23H29NO6S.C22H36N2O5S2.C22H29NO5S.C21H28N2O5S.C19H30N2O5S2/c1-17-6-5-7-19(12-17)21-15-24-20(14-25-21)13-22(27)26-10-8-18(9-11-26)16-30(28,29)23(2,3)4;1-15(25)19-13-18-11-17(5-6-20(18)30-22(19)27)12-21(26)24-9-7-16(8-10-24)14-31(28,29)23(2,3)4;1-21(2,3)30(26,27)16-18-11-13-24(14-12-18)20(25)15-17-7-9-19(10-8-17)23-31(28,29)22(4,5)6;1-15-11-17(12-18-5-6-20(25)28-21(15)18)13-19(24)23-9-7-16(8-10-23)14-29(26,27)22(2,3)4;1-21(2,3)29(27,28)13-14-7-9-23(10-8-14)18(24)12-15-5-6-16-17(11-15)20(26)22(4)19(16)25;1-19(2,3)28(25,26)14-16-9-11-21(12-10-16)18(22)13-15-5-7-17(8-6-15)20-27(4,23)24/h5-7,12,14-15,18H,8-11,13,16H2,1-4H3;5-6,11,13,16H,7-10,12,14H2,1-4H3;7-10,18,23H,11-16H2,1-6H3;5-6,11-12,16H,7-10,13-14H2,1-4H3;5-6,11,14H,7-10,12-13H2,1-4H3;5-8,16,20H,9-14H2,1-4H3
InChIKeyGPVQTIJYZSWJKW-UHFFFAOYSA-N
MW2620.48 g/mol
LogP16.71
Rot. Bonds30

About 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide

3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 158329633) has the molecular formula C130H183N11O29S8 and a molecular weight of 2620.48 g/mol. Its IUPAC name is 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID158329633
Molecular FormulaC130H183N11O29S8
Molecular Weight2620.48 g/mol
Exact Mass2618.09
IUPAC Name3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(=O)c1cc2cc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)ccc2oc1=O.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(C)(=O)=O)cc2)CC1.CN1C(=O)c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc2ccc(=O)oc12.Cc1cccc(-c2cnc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C23H31N3O3S.C23H29NO6S.C22H36N2O5S2.C22H29NO5S.C21H28N2O5S.C19H30N2O5S2/c1-17-6-5-7-19(12-17)21-15-24-20(14-25-21)13-22(27)26-10-8-18(9-11-26)16-30(28,29)23(2,3)4;1-15(25)19-13-18-11-17(5-6-20(18)30-22(19)27)12-21(26)24-9-7-16(8-10-24)14-31(28,29)23(2,3)4;1-21(2,3)30(26,27)16-18-11-13-24(14-12-18)20(25)15-17-7-9-19(10-8-17)23-31(28,29)22(4,5)6;1-15-11-17(12-18-5-6-20(25)28-21(15)18)13-19(24)23-9-7-16(8-10-23)14-29(26,27)22(2,3)4;1-21(2,3)29(27,28)13-14-7-9-23(10-8-14)18(24)12-15-5-6-16-17(11-15)20(26)22(4)19(16)25;1-19(2,3)28(25,26)14-16-9-11-21(12-10-16)18(22)13-15-5-7-17(8-6-15)20-27(4,23)24/h5-7,12,14-15,18H,8-11,13,16H2,1-4H3;5-6,11,13,16H,7-10,12,14H2,1-4H3;7-10,18,23H,11-16H2,1-6H3;5-6,11-12,16H,7-10,13-14H2,1-4H3;5-6,11,14H,7-10,12-13H2,1-4H3;5-8,16,20H,9-14H2,1-4H3
InChIKeyGPVQTIJYZSWJKW-UHFFFAOYSA-N
XLogP16.71
TPSA559.69 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002620.48
LogP ≤ 516.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide (CID 158329633) is 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide is CC(=O)c1cc2cc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)ccc2oc1=O.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NS(C)(=O)=O)cc2)CC1.CN1C(=O)c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.Cc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc2ccc(=O)oc12.Cc1cccc(-c2cnc(CC(=O)N3CCC(CS(=O)(=O)C(C)(C)C)CC3)cn2)c1.
What is the InChIKey of 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is GPVQTIJYZSWJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S.C23H29NO6S.C22H36N2O5S2.C22H29NO5S.C21H28N2O5S.C19H30N2O5S2/c1-17-6-5-7-19(12-17)21-15-24-20(14-25-21)13-22(27)26-10-8-18(9-11-26)16-30(28,29)23(2,3)4;1-15(25)19-13-18-11-17(5-6-20(18)30-22(19)27)12-21(26)24-9-7-16(8-10-24)14-31(28,29)23(2,3)4;1-21(2,3)30(26,27)16-18-11-13-24(14-12-18)20(25)15-17-7-9-19(10-8-17)23-31(28,29)22(4,5)6;1-15-11-17(12-18-5-6-20(25)28-21(15)18)13-19(24)23-9-7-16(8-10-23)14-29(26,27)22(2,3)4;1-21(2,3)29(27,28)13-14-7-9-23(10-8-14)18(24)12-15-5-6-16-17(11-15)20(26)22(4)19(16)25;1-19(2,3)28(25,26)14-16-9-11-21(12-10-16)18(22)13-15-5-7-17(8-6-15)20-27(4,23)24/h5-7,12,14-15,18H,8-11,13,16H2,1-4H3;5-6,11,13,16H,7-10,12,14H2,1-4H3;7-10,18,23H,11-16H2,1-6H3;5-6,11-12,16H,7-10,13-14H2,1-4H3;5-6,11,14H,7-10,12-13H2,1-4H3;5-8,16,20H,9-14H2,1-4H3.
What are the key properties of 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide?
3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 2620.48 g/mol, XLogP of 16.71, 30 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]chromen-2-one;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(3-methylphenyl)pyrazin-2-yl]ethanone;6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-methylchromen-2-one;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methylisoindole-1,3-dione;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 158329633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).