2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

C20H34N4O3S — CID 92893418

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCN2CCCC[C@@H]2C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H34N4O3S/c1-17-9-11-19(12-10-17)24(28(26,27)22(3)4)16-20(25)21-13-7-15-23-14-6-5-8-18(23)2/h9-12,18H,5-8,13-16H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyLRQNLUYTHKZETB-SFHVURJKSA-N
MW410.58 g/mol
LogP1.99
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 92893418) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID92893418
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCN2CCCC[C@@H]2C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H34N4O3S/c1-17-9-11-19(12-10-17)24(28(26,27)22(3)4)16-20(25)21-13-7-15-23-14-6-5-8-18(23)2/h9-12,18H,5-8,13-16H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyLRQNLUYTHKZETB-SFHVURJKSA-N
XLogP1.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866855
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 60556146
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 50807890

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (CID 92893418) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is Cc1ccc(N(CC(=O)NCCCN2CCCC[C@@H]2C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is LRQNLUYTHKZETB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-17-9-11-19(12-10-17)24(28(26,27)22(3)4)16-20(25)21-13-7-15-23-14-6-5-8-18(23)2/h9-12,18H,5-8,13-16H2,1-4H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 410.58 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 92893418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).