2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide

C14H22N2O3S — CID 5227443

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-8-13(9-11(10)2)16(20(6,18)19)12(3)14(17)15(4)5/h7-9,12H,1-6H3
InChIKeyPRIREXWNMQZLKF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.55
Rot. Bonds4

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide (PubChem CID 5227443) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
PubChem CID5227443
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-8-13(9-11(10)2)16(20(6,18)19)12(3)14(17)15(4)5/h7-9,12H,1-6H3
InChIKeyPRIREXWNMQZLKF-UHFFFAOYSA-N
XLogP1.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
ethyl (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoate
CID 124550686
2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 133219380
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 40603483
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 43917021
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 99955289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide (CID 5227443) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide is Cc1ccc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The InChIKey is PRIREXWNMQZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-8-13(9-11(10)2)16(20(6,18)19)12(3)14(17)15(4)5/h7-9,12H,1-6H3.
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 5227443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).