2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide

C10H15NO3S2 — CID 47207166

IUPAC2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCS(=O)(=O)CC(=O)NCCc1cccs1
InChIInChI=1S/C10H15NO3S2/c1-2-16(13,14)8-10(12)11-6-5-9-4-3-7-15-9/h3-4,7H,2,5-6,8H2,1H3,(H,11,12)
InChIKeyVDUNCHPUYZPUJD-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.84
Rot. Bonds6

About 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide

2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 47207166) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID47207166
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCS(=O)(=O)CC(=O)NCCc1cccs1
InChIInChI=1S/C10H15NO3S2/c1-2-16(13,14)8-10(12)11-6-5-9-4-3-7-15-9/h3-4,7H,2,5-6,8H2,1H3,(H,11,12)
InChIKeyVDUNCHPUYZPUJD-UHFFFAOYSA-N
XLogP0.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
CID 131916129
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide (CID 47207166) is 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide is CCS(=O)(=O)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is VDUNCHPUYZPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-2-16(13,14)8-10(12)11-6-5-9-4-3-7-15-9/h3-4,7H,2,5-6,8H2,1H3,(H,11,12).
What are the key properties of 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide?
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 47207166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).