2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

C12H17ClN2O4S — CID 6461900

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(8-12(14)16)20(17,18)9-5-6-11(19-4-2)10(13)7-9/h5-7H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeyFLKXMOBMIHZCQD-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.23
Rot. Bonds7

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 6461900) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
PubChem CID6461900
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(8-12(14)16)20(17,18)9-5-6-11(19-4-2)10(13)7-9/h5-7H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeyFLKXMOBMIHZCQD-UHFFFAOYSA-N
XLogP1.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetamide
CID 100798066
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-prop-2-enylacetamide
CID 45373876
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 9003870
ethyl 2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100798064
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2-chlorophenyl)methyl]acetamide
CID 45373880
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 45373911
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-ethoxy-N-ethylbenzenesulfonamide
CID 45373966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (CID 6461900) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is FLKXMOBMIHZCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-3-15(8-12(14)16)20(17,18)9-5-6-11(19-4-2)10(13)7-9/h5-7H,3-4,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 320.80 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 6461900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).