N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide

C103H204N24O29S5 — CID 158501772

About N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide

N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide (PubChem CID 158501772) has the molecular formula C103H204N24O29S5 and a molecular weight of 2403.24 g/mol. Its IUPAC name is N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide.

Molecular Properties

• Compound Name: N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide
• PubChem CID: 158501772
• Molecular Formula: C103H204N24O29S5
• Molecular Weight: 2403.24 g/mol
• Exact Mass: 2401.38
• IUPAC Name: N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide
• SMILES: C.C.C=C1N=C(C(C)C)NO1.C=S(C)(=O)NC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NO.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C(=O)O.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(C)(=O)=O.CC(C)c1nn[nH]n1.CC1=CC(C(C)C)=NC1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C.Cc1cc(C(C)C)on1
• InChI: InChI=1S/C9H19NO2.C8H12N2O2S.C8H13N.C7H11NO.C7H15NO.C7H12O3.C6H14N2O3S.C6H10N2O.C6H13NO2S.C6H11NO2.C5H9N5O.C5H11NO3S.C5H11NO2.C4H8N4.C4H9NO2.C4H10O2S.C4H8O2.2CH4/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;1-6(2)8-4-7(3)5-9-8;1-5(2)7-4-6(3)8-9-7;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)6-7-5(3)9-8-6;1-5(2)6(8)7-10(3,4)9;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-3(2)4-5-7-8-6-4;1-3(2)4(6)5-7;1-4(2)7(3,5)6;1-3(2)4(5)6;;/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4,6H,5H2,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;5H,1-4H3,(H,7,9);4H,3H2,1-2H3,(H,7,8);5H,3H2,1-2,4H3,(H,7,8,9);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);3H,1-2H3,(H,5,6,7,8);3,7H,1-2H3,(H,5,6);4H,1-3H3;3H,1-2H3,(H,5,6);2*1H4
• InChIKey: NVTNMBCAJGDMOR-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 764.21 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.24
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;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-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide (CID 158501772) is N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;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-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;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-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide is C.C.C=C1N=C(C(C)C)NO1.C=S(C)(=O)NC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NO.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C(=O)O.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(C)(=O)=O.CC(C)c1nn[nH]n1.CC1=CC(C(C)C)=NC1.CCCNC(=O)C(C)C.CCCOCCNC(=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-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?

The InChIKey is NVTNMBCAJGDMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H12N2O2S.C8H13N.C7H11NO.C7H15NO.C7H12O3.C6H14N2O3S.C6H10N2O.C6H13NO2S.C6H11NO2.C5H9N5O.C5H11NO3S.C5H11NO2.C4H8N4.C4H9NO2.C4H10O2S.C4H8O2.2CH4/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;1-6(2)8-4-7(3)5-9-8;1-5(2)7-4-6(3)8-9-7;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)6-7-5(3)9-8-6;1-5(2)6(8)7-10(3,4)9;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-3(2)4-5-7-8-6-4;1-3(2)4(6)5-7;1-4(2)7(3,5)6;1-3(2)4(5)6;;/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4,6H,5H2,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;5H,1-4H3,(H,7,9);4H,3H2,1-2H3,(H,7,8);5H,3H2,1-2,4H3,(H,7,8,9);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);3H,1-2H3,(H,5,6,7,8);3,7H,1-2H3,(H,5,6);4H,1-3H3;3H,1-2H3,(H,5,6);2*1H4.

What are the key properties of N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide?

N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide has a molecular weight of 2403.24 g/mol, XLogP of 12.81, 33 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-2-methylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(2H-tetrazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 158501772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).