2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide

C13H20N2O3S2 — CID 63237795

IUPAC2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide
SMILESCCNC(C)(CSc1ccc(S(C)(=O)=O)cc1)C(N)=O
InChIInChI=1S/C13H20N2O3S2/c1-4-15-13(2,12(14)16)9-19-10-5-7-11(8-6-10)20(3,17)18/h5-8,15H,4,9H2,1-3H3,(H2,14,16)
InChIKeyXTFNEZQSHFLRSX-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.04
Rot. Bonds7

About 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide

2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide (PubChem CID 63237795) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide
PubChem CID63237795
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide
SMILESCCNC(C)(CSc1ccc(S(C)(=O)=O)cc1)C(N)=O
InChIInChI=1S/C13H20N2O3S2/c1-4-15-13(2,12(14)16)9-19-10-5-7-11(8-6-10)20(3,17)18/h5-8,15H,4,9H2,1-3H3,(H2,14,16)
InChIKeyXTFNEZQSHFLRSX-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(4-methylsulfonylphenyl)sulfanylpropanoic acid
CID 79629843
methyl 2,2-dimethyl-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 79629940
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
CID 55057563
2-(ethylamino)-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 55121565
ethyl 2-(ethylamino)-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 63238103
methyl 2-(ethylamino)-4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 63237839
ethyl 2-amino-2-methyl-4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 63237881
3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfanylbutan-2-amine
CID 64625979
2-amino-2-methyl-6-(4-methylsulfonylphenyl)sulfanylhexanoic acid
CID 63237752
methyl 2-bromo-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 81091513
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
[4-[(4-methylsulfonylphenyl)sulfanylmethyl]phenyl]boronic acid
CID 63238319

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide (CID 63237795) is 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide is CCNC(C)(CSc1ccc(S(C)(=O)=O)cc1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide?
The InChIKey is XTFNEZQSHFLRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-15-13(2,12(14)16)9-19-10-5-7-11(8-6-10)20(3,17)18/h5-8,15H,4,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide?
2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide has a molecular weight of 316.45 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide is sourced from PubChem (CID 63237795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).