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

C20H27N3O3S — CID 110601053

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)15-6-12-18(13-7-15)27(25,26)21-14-19(24)22-16-8-10-17(11-9-16)23(4)5/h6-13,21H,14H2,1-5H3,(H,22,24)
InChIKeyPOJKJTKUISWBOY-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.97
Rot. Bonds6

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

2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110601053) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110601053
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)15-6-12-18(13-7-15)27(25,26)21-14-19(24)22-16-8-10-17(11-9-16)23(4)5/h6-13,21H,14H2,1-5H3,(H,22,24)
InChIKeyPOJKJTKUISWBOY-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-cyanophenyl)acetamide
CID 113002113
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
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 110407309
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide (CID 110601053) is 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is POJKJTKUISWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-20(2,3)15-6-12-18(13-7-15)27(25,26)21-14-19(24)22-16-8-10-17(11-9-16)23(4)5/h6-13,21H,14H2,1-5H3,(H,22,24).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.97, 6 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-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110601053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).