N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide

C13H20N2O3S — CID 113002186

IUPACN-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNS(=O)(=O)CC)c1cccc(C)c1
InChIInChI=1S/C13H20N2O3S/c1-4-15(12-8-6-7-11(3)9-12)13(16)10-14-19(17,18)5-2/h6-9,14H,4-5,10H2,1-3H3
InChIKeyQPOUCTAJYUDSKL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.29
Rot. Bonds6

About N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide

N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide (PubChem CID 113002186) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
PubChem CID113002186
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNS(=O)(=O)CC)c1cccc(C)c1
InChIInChI=1S/C13H20N2O3S/c1-4-15(12-8-6-7-11(3)9-12)13(16)10-14-19(17,18)5-2/h6-9,14H,4-5,10H2,1-3H3
InChIKeyQPOUCTAJYUDSKL-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113002188
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide (CID 113002186) is N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide is CCN(C(=O)CNS(=O)(=O)CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide?
The InChIKey is QPOUCTAJYUDSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-15(12-8-6-7-11(3)9-12)13(16)10-14-19(17,18)5-2/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide?
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113002186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).