3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide

C16H25ClN2O3S — CID 113144326

IUPAC3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-6-18(7-2)15(20)8-9-19(23(5,21)22)16-13(4)10-12(3)11-14(16)17/h10-11H,6-9H2,1-5H3
InChIKeyPRCNCRSXRIECSD-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.98
Rot. Bonds7

About 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide

3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide (PubChem CID 113144326) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
PubChem CID113144326
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-6-18(7-2)15(20)8-9-19(23(5,21)22)16-13(4)10-12(3)11-14(16)17/h10-11H,6-9H2,1-5H3
InChIKeyPRCNCRSXRIECSD-UHFFFAOYSA-N
XLogP2.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
N-[2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113070232
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113155009
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
N,N-dimethyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30256486
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide (CID 113144326) is 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide?
The InChIKey is PRCNCRSXRIECSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-6-18(7-2)15(20)8-9-19(23(5,21)22)16-13(4)10-12(3)11-14(16)17/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide?
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide has a molecular weight of 360.91 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 113144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).