N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide

C112H156F3N13O13S6 — CID 158513471

IUPACN-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NC(C)=O.CCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)Nc1ccncc1.CCC(C)C(=O)NC(=O)C(F)(F)F.CCC(C)c1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1.CCC(C)c1ccccc1.CCC(C)c1ccccc1.CCC(C)c1ccncc1.CCSc1nc2ccccc2[nH]1.CCSc1nc2ccccc2s1
InChIInChI=1S/C24H22N2O.C12H24N2O4S.C11H24N2O5S2.C11H16N2O.2C10H14.C9H10N2S.C9H9NS2.C9H13N.C7H10F3NO2/c1-3-16(2)17-12-14-18(15-13-17)24(27)26-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23;1-7-11(3,4)10(16)13-12(5,6)8-19(17,18)14-9(2)15;1-7-10(2,3)9(14)12-11(4,5)8-20(17,18)13-19(6,15)16;1-4-11(2,3)10(14)13-9-5-7-12-8-6-9;2*1-3-9(2)10-7-5-4-6-8-10;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-2-11-9-10-7-5-3-4-6-8(7)12-9;1-3-8(2)9-4-6-10-7-5-9;1-3-4(2)5(12)11-6(13)7(8,9)10/h4-16H,3H2,1-2H3,(H,25,26,27);7-8H2,1-6H3,(H,13,16)(H,14,15);13H,7-8H2,1-6H3,(H,12,14);5-8H,4H2,1-3H3,(H,12,13,14);2*4-9H,3H2,1-2H3;3-6H,2H2,1H3,(H,10,11);3-6H,2H2,1H3;4-8H,3H2,1-2H3;4H,3H2,1-2H3,(H,11,12,13)
InChIKeyHLINZBAXEAWQLC-UHFFFAOYSA-N
MW2141.95 g/mol
LogP25.91
Rot. Bonds32

About N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide

N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide (PubChem CID 158513471) has the molecular formula C112H156F3N13O13S6 and a molecular weight of 2141.95 g/mol. Its IUPAC name is N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide.

Molecular Properties

Compound NameN-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide
PubChem CID158513471
Molecular FormulaC112H156F3N13O13S6
Molecular Weight2141.95 g/mol
Exact Mass2140.02
IUPAC NameN-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NC(C)=O.CCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)Nc1ccncc1.CCC(C)C(=O)NC(=O)C(F)(F)F.CCC(C)c1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1.CCC(C)c1ccccc1.CCC(C)c1ccccc1.CCC(C)c1ccncc1.CCSc1nc2ccccc2[nH]1.CCSc1nc2ccccc2s1
InChIInChI=1S/C24H22N2O.C12H24N2O4S.C11H24N2O5S2.C11H16N2O.2C10H14.C9H10N2S.C9H9NS2.C9H13N.C7H10F3NO2/c1-3-16(2)17-12-14-18(15-13-17)24(27)26-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23;1-7-11(3,4)10(16)13-12(5,6)8-19(17,18)14-9(2)15;1-7-10(2,3)9(14)12-11(4,5)8-20(17,18)13-19(6,15)16;1-4-11(2,3)10(14)13-9-5-7-12-8-6-9;2*1-3-9(2)10-7-5-4-6-8-10;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-2-11-9-10-7-5-3-4-6-8(7)12-9;1-3-8(2)9-4-6-10-7-5-9;1-3-4(2)5(12)11-6(13)7(8,9)10/h4-16H,3H2,1-2H3,(H,25,26,27);7-8H2,1-6H3,(H,13,16)(H,14,15);13H,7-8H2,1-6H3,(H,12,14);5-8H,4H2,1-3H3,(H,12,13,14);2*4-9H,3H2,1-2H3;3-6H,2H2,1H3,(H,10,11);3-6H,2H2,1H3;4-8H,3H2,1-2H3;4H,3H2,1-2H3,(H,11,12,13)
InChIKeyHLINZBAXEAWQLC-UHFFFAOYSA-N
XLogP25.91
TPSA386.36 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.95
LogP ≤ 525.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide with MolForge

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Related Compounds

2-cyclopropyl-N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;N,N-diethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-[3-(1,1-difluoroethyl)phenyl]-2-propan-2-ylpyridine;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;4-(3-fluorophenyl)-3-propan-2-ylpyridine;1-[2-fluoro-5-(3-propan-2-ylpyridazin-4-yl)phenyl]ethanone;3-(4-methylphenyl)-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-1,3-benzothiazole;4-(2-propan-2-yl-3-pyridinyl)isoquinoline;3-(2-propan-2-yl-3-pyridinyl)quinoline;4-(4-propan-2-ylpyrimidin-5-yl)-1H-benzimidazole;7-(4-propan-2-ylpyrimidin-5-yl)quinoline
CID 157230638
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone;N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide;N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide;methane
CID 164052189

Frequently Asked Questions

What is the IUPAC name of N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide?
The IUPAC name of N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide (CID 158513471) is N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide.
What is the SMILES notation for N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide?
The canonical SMILES for N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide is CCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NC(C)=O.CCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)Nc1ccncc1.CCC(C)C(=O)NC(=O)C(F)(F)F.CCC(C)c1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1.CCC(C)c1ccccc1.CCC(C)c1ccccc1.CCC(C)c1ccncc1.CCSc1nc2ccccc2[nH]1.CCSc1nc2ccccc2s1.
What is the InChIKey of N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide?
The InChIKey is HLINZBAXEAWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.C12H24N2O4S.C11H24N2O5S2.C11H16N2O.2C10H14.C9H10N2S.C9H9NS2.C9H13N.C7H10F3NO2/c1-3-16(2)17-12-14-18(15-13-17)24(27)26-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23;1-7-11(3,4)10(16)13-12(5,6)8-19(17,18)14-9(2)15;1-7-10(2,3)9(14)12-11(4,5)8-20(17,18)13-19(6,15)16;1-4-11(2,3)10(14)13-9-5-7-12-8-6-9;2*1-3-9(2)10-7-5-4-6-8-10;1-2-12-9-10-7-5-3-4-6-8(7)11-9;1-2-11-9-10-7-5-3-4-6-8(7)12-9;1-3-8(2)9-4-6-10-7-5-9;1-3-4(2)5(12)11-6(13)7(8,9)10/h4-16H,3H2,1-2H3,(H,25,26,27);7-8H2,1-6H3,(H,13,16)(H,14,15);13H,7-8H2,1-6H3,(H,12,14);5-8H,4H2,1-3H3,(H,12,13,14);2*4-9H,3H2,1-2H3;3-6H,2H2,1H3,(H,10,11);3-6H,2H2,1H3;4-8H,3H2,1-2H3;4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide?
N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide has a molecular weight of 2141.95 g/mol, XLogP of 25.91, 32 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(acetylsulfamoyl)-2-methylpropan-2-yl]-2,2-dimethylbutanamide;N-acridin-9-yl-4-butan-2-ylbenzamide;bis(butan-2-ylbenzene);4-butan-2-ylpyridine;2,2-dimethyl-N-[2-methyl-1-(methylsulfonylsulfamoyl)propan-2-yl]butanamide;2,2-dimethyl-N-pyridin-4-ylbutanamide;2-ethylsulfanyl-1H-benzimidazole;2-ethylsulfanyl-1,3-benzothiazole;2-methyl-N-(2,2,2-trifluoroacetyl)butanamide is sourced from PubChem (CID 158513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).