N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide

C13H20N2O3S — CID 71934917

IUPACN-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
SMILESCCN(C)c1cccc(NC(=O)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-5-15(3)12-8-6-7-11(9-12)14-13(16)10(2)19(4,17)18/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyZPNRZRNHCJLYRW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.51
Rot. Bonds5

About N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide

N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide (PubChem CID 71934917) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
PubChem CID71934917
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
SMILESCCN(C)c1cccc(NC(=O)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-5-15(3)12-8-6-7-11(9-12)14-13(16)10(2)19(4,17)18/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyZPNRZRNHCJLYRW-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
methyl 3-(2-methylsulfonylpropanoylamino)benzoate
CID 113223100
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide
CID 75421668
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
CID 97099193
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
(2R)-N-[3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylpropanamide
CID 129377377
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide (CID 71934917) is N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide is CCN(C)c1cccc(NC(=O)C(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide?
The InChIKey is ZPNRZRNHCJLYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-15(3)12-8-6-7-11(9-12)14-13(16)10(2)19(4,17)18/h6-10H,5H2,1-4H3,(H,14,16).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide?
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 71934917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).