2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide

C16H26N2O3S — CID 136537255

IUPAC2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(15(19)17(5)6)22(20,21)18(7)14-10-8-13(9-11-14)16(2,3)4/h8-12H,1-7H3
InChIKeyUHSSPACZLRPOQQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.23
Rot. Bonds4

About 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide

2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide (PubChem CID 136537255) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide
PubChem CID136537255
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(15(19)17(5)6)22(20,21)18(7)14-10-8-13(9-11-14)16(2,3)4/h8-12H,1-7H3
InChIKeyUHSSPACZLRPOQQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide (CID 136537255) is 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide?
The InChIKey is UHSSPACZLRPOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(15(19)17(5)6)22(20,21)18(7)14-10-8-13(9-11-14)16(2,3)4/h8-12H,1-7H3.
What are the key properties of 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide?
2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide has a molecular weight of 326.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)-methylsulfamoyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 136537255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).