2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide

C19H21N3O3S — CID 113002113

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-6-10-17(11-7-15)26(24,25)21-13-18(23)22-16-8-4-14(12-20)5-9-16/h4-11,21H,13H2,1-3H3,(H,22,23)
InChIKeyFUIUCLGJRVERAA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.77
Rot. Bonds5

About 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide

2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide (PubChem CID 113002113) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
PubChem CID113002113
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-6-10-17(11-7-15)26(24,25)21-13-18(23)22-16-8-4-14(12-20)5-9-16/h4-11,21H,13H2,1-3H3,(H,22,23)
InChIKeyFUIUCLGJRVERAA-UHFFFAOYSA-N
XLogP2.77
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002096
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554264
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide (CID 113002113) is 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide?
The InChIKey is FUIUCLGJRVERAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-19(2,3)15-6-10-17(11-7-15)26(24,25)21-13-18(23)22-16-8-4-14(12-20)5-9-16/h4-11,21H,13H2,1-3H3,(H,22,23).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide?
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113002113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).