N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

C19H23N3O4S — CID 1026291

IUPACN-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-14-8-10-17(11-9-14)27(25,26)22-16-7-5-6-15(12-16)21-18(24)19(2,3)4/h5-12,22H,1-4H3,(H,20,23)(H,21,24)
InChIKeyWXNJXNKOBHMDCC-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.43
Rot. Bonds5

About N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 1026291) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID1026291
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-14-8-10-17(11-9-14)27(25,26)22-16-7-5-6-15(12-16)21-18(24)19(2,3)4/h5-12,22H,1-4H3,(H,20,23)(H,21,24)
InChIKeyWXNJXNKOBHMDCC-UHFFFAOYSA-N
XLogP3.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 1026291) is N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1.
What is the InChIKey of N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is WXNJXNKOBHMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(23)20-14-8-10-17(11-9-14)27(25,26)22-16-7-5-6-15(12-16)21-18(24)19(2,3)4/h5-12,22H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 389.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1026291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).