2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

C14H22N2O3S — CID 113154143

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-12-6-8-13(9-7-12)16(20(4,18)19)10-14(17)15-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyAKIALTJXAZAIEL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 113154143) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
PubChem CID113154143
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-12-6-8-13(9-7-12)16(20(4,18)19)10-14(17)15-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyAKIALTJXAZAIEL-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133184692
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 100547113
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034252
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (CID 113154143) is 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is CCc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is AKIALTJXAZAIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-12-6-8-13(9-7-12)16(20(4,18)19)10-14(17)15-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 113154143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).