N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide

C99H192N24O31S5 — CID 158264292

IUPACN-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide
SMILESCC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)NS(C)(=O)=O.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C1=CC(=O)CN1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC(C)c1nn[nH]n1.CC(C)c1noc(=O)[nH]1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C.Cc1cc(C(C)C)on1
InChIInChI=1S/C9H19NO2.C8H12N2O2S.2C7H11NO.C7H15NO.C7H12O3.C6H14N2O3S.C6H11NO2.C5H9N5O.C5H8N2O2.2C5H11NO3S.C5H11NO2.C5H11NO.C5H10O.C4H8N4.C3H8O3S/c1-4-6-12-7-5-10-9(11)8(2)3;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7-3-6(9)4-8-7;1-4-5-8-7(9)6(2)3;1-5(2)6(8)4-7(9)10-3;1-5(2)6(9)7-12(10,11)8(3)4;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-3(2)4-6-5(8)9-7-4;1-4(2)5(7)6-10(3,8)9;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-4(2)5(7)6-3;1-4(2)5(3)6;1-3(2)4-5-7-8-6-4;1-3(2)7(4,5)6/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4-5H,1-3H3;3,5,8H,4H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;5H,1-4H3,(H,7,9);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);3H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3;3H,1-2H3,(H,5,6,7,8);3H,1-2H3,(H,4,5,6)
InChIKeySYTCFYHULBPOCZ-UHFFFAOYSA-N
MW2375.10 g/mol
LogP9.92
Rot. Bonds33

About N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide

N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide (PubChem CID 158264292) has the molecular formula C99H192N24O31S5 and a molecular weight of 2375.10 g/mol. Its IUPAC name is N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide
PubChem CID158264292
Molecular FormulaC99H192N24O31S5
Molecular Weight2375.10 g/mol
Exact Mass2373.28
IUPAC NameN-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide
SMILESCC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)NS(C)(=O)=O.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C1=CC(=O)CN1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC(C)c1nn[nH]n1.CC(C)c1noc(=O)[nH]1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C.Cc1cc(C(C)C)on1
InChIInChI=1S/C9H19NO2.C8H12N2O2S.2C7H11NO.C7H15NO.C7H12O3.C6H14N2O3S.C6H11NO2.C5H9N5O.C5H8N2O2.2C5H11NO3S.C5H11NO2.C5H11NO.C5H10O.C4H8N4.C3H8O3S/c1-4-6-12-7-5-10-9(11)8(2)3;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7-3-6(9)4-8-7;1-4-5-8-7(9)6(2)3;1-5(2)6(8)4-7(9)10-3;1-5(2)6(9)7-12(10,11)8(3)4;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-3(2)4-6-5(8)9-7-4;1-4(2)5(7)6-10(3,8)9;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-4(2)5(7)6-3;1-4(2)5(3)6;1-3(2)4-5-7-8-6-4;1-3(2)7(4,5)6/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4-5H,1-3H3;3,5,8H,4H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;5H,1-4H3,(H,7,9);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);3H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3;3H,1-2H3,(H,5,6,7,8);3H,1-2H3,(H,4,5,6)
InChIKeySYTCFYHULBPOCZ-UHFFFAOYSA-N
XLogP9.92
TPSA803.06 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.10
LogP ≤ 59.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?
The IUPAC name of N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide (CID 158264292) is N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide is CC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)NS(C)(=O)=O.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C1=CC(=O)CN1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC(C)c1nn[nH]n1.CC(C)c1noc(=O)[nH]1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C.Cc1cc(C(C)C)on1.
What is the InChIKey of N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?
The InChIKey is SYTCFYHULBPOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H12N2O2S.2C7H11NO.C7H15NO.C7H12O3.C6H14N2O3S.C6H11NO2.C5H9N5O.C5H8N2O2.2C5H11NO3S.C5H11NO2.C5H11NO.C5H10O.C4H8N4.C3H8O3S/c1-4-6-12-7-5-10-9(11)8(2)3;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7-3-6(9)4-8-7;1-4-5-8-7(9)6(2)3;1-5(2)6(8)4-7(9)10-3;1-5(2)6(9)7-12(10,11)8(3)4;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-3(2)4-6-5(8)9-7-4;1-4(2)5(7)6-10(3,8)9;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-4(2)5(7)6-3;1-4(2)5(3)6;1-3(2)4-5-7-8-6-4;1-3(2)7(4,5)6/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4-5H,1-3H3;3,5,8H,4H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;5H,1-4H3,(H,7,9);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);3H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3;3H,1-2H3,(H,5,6,7,8);3H,1-2H3,(H,4,5,6).
What are the key properties of N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?
N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide has a molecular weight of 2375.10 g/mol, XLogP of 9.92, 33 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 158264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).