2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide

C15H24N2O5S — CID 19798440

IUPAC2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCOC)cc1
InChIInChI=1S/C15H24N2O5S/c1-4-17(12-15(18)16-10-11-21-3)23(19,20)14-8-6-13(7-9-14)22-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyYCJQIFOPZGPVQN-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.86
Rot. Bonds10

About 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide

2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 19798440) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide
PubChem CID19798440
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCOC)cc1
InChIInChI=1S/C15H24N2O5S/c1-4-17(12-15(18)16-10-11-21-3)23(19,20)14-8-6-13(7-9-14)22-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyYCJQIFOPZGPVQN-UHFFFAOYSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 100795670
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 45373181
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 100795672
N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 19798448

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide (CID 19798440) is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCOC)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is YCJQIFOPZGPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-17(12-15(18)16-10-11-21-3)23(19,20)14-8-6-13(7-9-14)22-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 0.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).