N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide

C16H23Cl2NO3S — CID 49366845

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO3S/c1-5-8-23(21,22)11(2)15(20)19-10-16(3,4)12-6-7-13(17)14(18)9-12/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyUKXAPPKZJWTMGL-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide (PubChem CID 49366845) has the molecular formula C16H23Cl2NO3S and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide
PubChem CID49366845
Molecular FormulaC16H23Cl2NO3S
Molecular Weight380.34 g/mol
Exact Mass379.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO3S/c1-5-8-23(21,22)11(2)15(20)19-10-16(3,4)12-6-7-13(17)14(18)9-12/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyUKXAPPKZJWTMGL-UHFFFAOYSA-N
XLogP3.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide (CID 49366845) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide is CCCS(=O)(=O)C(C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide?
The InChIKey is UKXAPPKZJWTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO3S/c1-5-8-23(21,22)11(2)15(20)19-10-16(3,4)12-6-7-13(17)14(18)9-12/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide has a molecular weight of 380.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide is sourced from PubChem (CID 49366845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).