N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide

C81H151N19O22S4 — CID 157384510

About N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide

N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide (PubChem CID 157384510) has the molecular formula C81H151N19O22S4 and a molecular weight of 1871.48 g/mol. Its IUPAC name is N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide.

Molecular Properties

• Compound Name: N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide
• PubChem CID: 157384510
• Molecular Formula: C81H151N19O22S4
• Molecular Weight: 1871.48 g/mol
• Exact Mass: 1870.02
• IUPAC Name: N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide
• SMILES: C=C1N=C(C(C)(C)C)NO1.CC(=O)NC(=O)C(C)(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)(C)C(=O)NS(C)(=O)=O.CC(C)(C)C(=O)Nc1nn[nH]n1.CC(C)(C)C(=O)O.CC(C)(C)c1nn[nH]n1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC1=CC(C(C)(C)C)=NC1.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)(C)C.Cc1cc(C(C)C)on1
• InChI: InChI=1S/C9H15N.C8H12N2O2S.C8H14O3.C7H12N2O.C7H13NO2.C7H11NO.C6H11N5O.C6H13NO3S.C5H10N4.C5H11NO3S.C5H11NO.C5H10O2.C3H8O3S/c1-7-5-8(10-6-7)9(2,3)4;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-8(2,3)6(9)5-7(10)11-4;1-5-8-6(9-10-5)7(2,3)4;1-5(9)8-6(10)7(2,3)4;1-5(2)7-4-6(3)8-9-7;1-6(2,3)4(12)7-5-8-10-11-9-5;1-6(2,3)5(8)7-11(4,9)10;1-5(2,3)4-6-8-9-7-4;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-3;1-5(2,3)4(6)7;1-3(2)7(4,5)6/h5H,6H2,1-4H3;3-7H,1-2H3,(H,9,10);5,9H,1-4H3;1H2,2-4H3,(H,8,9);1-4H3,(H,8,9,10);4-5H,1-3H3;1-3H3,(H2,7,8,9,10,11,12);1-4H3,(H,7,8);1-3H3,(H,6,7,8,9);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);1-3H3,(H,6,7);3H,1-2H3,(H,4,5,6)
• InChIKey: GOOJWWUXQBYKRJ-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 609.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.48
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide?

The IUPAC name of N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide (CID 157384510) is N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide.

What is the SMILES notation for N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide?

The canonical SMILES for N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide is C=C1N=C(C(C)(C)C)NO1.CC(=O)NC(=O)C(C)(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)(C)C(=O)NS(C)(=O)=O.CC(C)(C)C(=O)Nc1nn[nH]n1.CC(C)(C)C(=O)O.CC(C)(C)c1nn[nH]n1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC1=CC(C(C)(C)C)=NC1.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)(C)C.Cc1cc(C(C)C)on1.

What is the InChIKey of N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide?

The InChIKey is GOOJWWUXQBYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C8H12N2O2S.C8H14O3.C7H12N2O.C7H13NO2.C7H11NO.C6H11N5O.C6H13NO3S.C5H10N4.C5H11NO3S.C5H11NO.C5H10O2.C3H8O3S/c1-7-5-8(10-6-7)9(2,3)4;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-8(2,3)6(9)5-7(10)11-4;1-5-8-6(9-10-5)7(2,3)4;1-5(9)8-6(10)7(2,3)4;1-5(2)7-4-6(3)8-9-7;1-6(2,3)4(12)7-5-8-10-11-9-5;1-6(2,3)5(8)7-11(4,9)10;1-5(2,3)4-6-8-9-7-4;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-3;1-5(2,3)4(6)7;1-3(2)7(4,5)6/h5H,6H2,1-4H3;3-7H,1-2H3,(H,9,10);5,9H,1-4H3;1H2,2-4H3,(H,8,9);1-4H3,(H,8,9,10);4-5H,1-3H3;1-3H3,(H2,7,8,9,10,11,12);1-4H3,(H,7,8);1-3H3,(H,6,7,8,9);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);1-3H3,(H,6,7);3H,1-2H3,(H,4,5,6).

What are the key properties of N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide?

N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide has a molecular weight of 1871.48 g/mol, XLogP of 11.99, 11 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-2,2-dimethylpropanamide;3-tert-butyl-5-methylidene-2H-1,2,4-oxadiazole;5-tert-butyl-3-methyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2,2-dimethyl-N-methylsulfonylpropanamide;N,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-N-(2H-tetrazol-5-yl)propanamide;methyl 3-hydroxy-4,4-dimethylpent-2-enoate;3-methyl-5-propan-2-yl-1,2-oxazole;propane-2-sulfonic acid;N-propan-2-ylsulfonylacetamide;N-pyridin-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 157384510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).