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

C18H28ClN3O5S — CID 45373996

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C18H28ClN3O5S/c1-3-22(14-18(23)20-7-8-21-9-11-26-12-10-21)28(24,25)15-5-6-17(27-4-2)16(19)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,20,23)
InChIKeyAGGMHUQEJIQTHF-UHFFFAOYSA-N
MW433.96 g/mol
LogP1.20
Rot. Bonds10

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

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 45373996) has the molecular formula C18H28ClN3O5S and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID45373996
Molecular FormulaC18H28ClN3O5S
Molecular Weight433.96 g/mol
Exact Mass433.14
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C18H28ClN3O5S/c1-3-22(14-18(23)20-7-8-21-9-11-26-12-10-21)28(24,25)15-5-6-17(27-4-2)16(19)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,20,23)
InChIKeyAGGMHUQEJIQTHF-UHFFFAOYSA-N
XLogP1.20
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 92645558
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-prop-2-enylacetamide
CID 45373876
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100798036
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9003858
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2-chlorophenyl)methyl]acetamide
CID 45373880
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-[(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-[(2R)-pentan-2-yl]acetamide
CID 9003870

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 45373996) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AGGMHUQEJIQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O5S/c1-3-22(14-18(23)20-7-8-21-9-11-26-12-10-21)28(24,25)15-5-6-17(27-4-2)16(19)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 433.96 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 45373996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).