2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide

C17H27ClN2O4S — CID 9003870

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-20(6-2)25(22,23)14-9-10-16(24-7-3)15(18)11-14/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyOKQQJJDSMYYCHG-CYBMUJFWSA-N
MW390.93 g/mol
LogP3.05
Rot. Bonds10

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 9003870) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID9003870
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-20(6-2)25(22,23)14-9-10-16(24-7-3)15(18)11-14/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyOKQQJJDSMYYCHG-CYBMUJFWSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
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-[(2-chlorophenyl)methyl]acetamide
CID 45373880
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[(2S)-pentan-2-yl]acetamide
CID 92518793
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 45373911
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100798036

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide (CID 9003870) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is OKQQJJDSMYYCHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-20(6-2)25(22,23)14-9-10-16(24-7-3)15(18)11-14/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 390.93 g/mol, XLogP of 3.05, 10 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]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 9003870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).