N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone

C67H85N9O10S2 — CID 159991699

About N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone

N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone (PubChem CID 159991699) has the molecular formula C67H85N9O10S2 and a molecular weight of 1240.60 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone.

Molecular Properties

• Compound Name: N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone
• PubChem CID: 159991699
• Molecular Formula: C67H85N9O10S2
• Molecular Weight: 1240.60 g/mol
• Exact Mass: 1239.59
• IUPAC Name: N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone
• SMILES: C.CC(=O)c1ccccc1.CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1.COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1.Cc1cc(C)nc(N=C(N)Nc2ccc(C(C)C)cc2)n1
• InChI: InChI=1S/C21H26N2O5S.C21H26N2O4S.C16H21N5.C8H8O.CH4/c1-27-17-11-12-20(28-2)19(15-17)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18;1-2-27-20-14-8-7-13-19(20)23(17-21(24)22-15-9-4-10-16-22)28(25,26)18-11-5-3-6-12-18;1-10(2)13-5-7-14(8-6-13)20-15(17)21-16-18-11(3)9-12(4)19-16;1-7(9)8-5-3-2-4-6-8;/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3;3,5-8,11-14H,2,4,9-10,15-17H2,1H3;5-10H,1-4H3,(H3,17,18,19,20,21);2-6H,1H3;1H4
• InChIKey: OHAIYXGBUOYFRL-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 236.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1240.60
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone?

The IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone (CID 159991699) is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone.

What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone?

The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone is C.CC(=O)c1ccccc1.CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1.COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1.Cc1cc(C)nc(N=C(N)Nc2ccc(C(C)C)cc2)n1.

What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone?

The InChIKey is OHAIYXGBUOYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S.C21H26N2O4S.C16H21N5.C8H8O.CH4/c1-27-17-11-12-20(28-2)19(15-17)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18;1-2-27-20-14-8-7-13-19(20)23(17-21(24)22-15-9-4-10-16-22)28(25,26)18-11-5-3-6-12-18;1-10(2)13-5-7-14(8-6-13)20-15(17)21-16-18-11(3)9-12(4)19-16;1-7(9)8-5-3-2-4-6-8;/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3;3,5-8,11-14H,2,4,9-10,15-17H2,1H3;5-10H,1-4H3,(H3,17,18,19,20,21);2-6H,1H3;1H4.

What are the key properties of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone?

N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone has a molecular weight of 1240.60 g/mol, XLogP of 12.01, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone is sourced from PubChem (CID 159991699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).