2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide

C20H25ClN2O5S — CID 43890939

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCOC
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-18-10-9-16(21)14-19(18)29(25,26)23-17(20(24)22-11-12-27-2)13-15-7-5-4-6-8-15/h4-10,14,17,23H,3,11-13H2,1-2H3,(H,22,24)
InChIKeyQJSIQPVDONZGEK-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.39
Rot. Bonds11

About 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 43890939) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID43890939
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCOC
InChIInChI=1S/C20H25ClN2O5S/c1-3-28-18-10-9-16(21)14-19(18)29(25,26)23-17(20(24)22-11-12-27-2)13-15-7-5-4-6-8-15/h4-10,14,17,23H,3,11-13H2,1-2H3,(H,22,24)
InChIKeyQJSIQPVDONZGEK-UHFFFAOYSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 43890949
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 43891017
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 43890958
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28542536
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 28542390
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide (CID 43890939) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCOC.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is QJSIQPVDONZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-3-28-18-10-9-16(21)14-19(18)29(25,26)23-17(20(24)22-11-12-27-2)13-15-7-5-4-6-8-15/h4-10,14,17,23H,3,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 440.95 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 43890939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).