2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide

C17H28N2O3S — CID 110416408

IUPAC2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)CS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-11-19(12-6-2)17(20)15(4)13-23(21,22)18-16-9-7-14(3)8-10-16/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyHBPLDYJRWQDJTG-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.02
Rot. Bonds9

About 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide

2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide (PubChem CID 110416408) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide
PubChem CID110416408
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)CS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-11-19(12-6-2)17(20)15(4)13-23(21,22)18-16-9-7-14(3)8-10-16/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyHBPLDYJRWQDJTG-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide?
The IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide (CID 110416408) is 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide.
What is the SMILES notation for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide?
The canonical SMILES for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)CS(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide?
The InChIKey is HBPLDYJRWQDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-11-19(12-6-2)17(20)15(4)13-23(21,22)18-16-9-7-14(3)8-10-16/h7-10,15,18H,5-6,11-13H2,1-4H3.
What are the key properties of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide?
2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N,N-dipropylpropanamide is sourced from PubChem (CID 110416408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).