2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide

C14H16N2O3S2 — CID 115286247

IUPAC2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-2-21(18,19)11-7-5-10(6-8-11)16-14(17)13(15)12-4-3-9-20-12/h3-9,13H,2,15H2,1H3,(H,16,17)
InChIKeyXDKAZPMEBYXDSZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide

2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 115286247) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
PubChem CID115286247
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C14H16N2O3S2/c1-2-21(18,19)11-7-5-10(6-8-11)16-14(17)13(15)12-4-3-9-20-12/h3-9,13H,2,15H2,1H3,(H,16,17)
InChIKeyXDKAZPMEBYXDSZ-UHFFFAOYSA-N
XLogP2.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
CID 167760551
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 115286009
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
CID 115286307
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide (CID 115286247) is 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide is CCS(=O)(=O)c1ccc(NC(=O)C(N)c2cccs2)cc1.
What is the InChIKey of 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is XDKAZPMEBYXDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-2-21(18,19)11-7-5-10(6-8-11)16-14(17)13(15)12-4-3-9-20-12/h3-9,13H,2,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide?
2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 324.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).