2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide

C20H20N2O4S — CID 55533400

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)15-20(24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,14-15H2,1-2H3,(H,21,24)
InChIKeyFRIVRZWSRUJXNJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.68
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 55533400) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID55533400
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)15-20(24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,14-15H2,1-2H3,(H,21,24)
InChIKeyFRIVRZWSRUJXNJ-UHFFFAOYSA-N
XLogP1.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55534295
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide (CID 55533400) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCC#Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is FRIVRZWSRUJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-16(23)18-10-12-19(13-11-18)27(25,26)22(2)15-20(24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 55533400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).