N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

C14H20Cl2N2O3S — CID 113072003

IUPACN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-14(2,3)13(19)17-5-6-18(22(4,20)21)12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyFKHPDTVRSWPNDY-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113072003) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113072003
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-14(2,3)13(19)17-5-6-18(22(4,20)21)12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyFKHPDTVRSWPNDY-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072229
3-(3,5-dichloro-N-methylsulfonylanilino)propanoic acid
CID 50892451
3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (CID 113072003) is N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is FKHPDTVRSWPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-14(2,3)13(19)17-5-6-18(22(4,20)21)12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113072003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).