2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

C17H27ClN2O5S — CID 43890415

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20-13(4)17(21)19-9-6-10-25-12(2)3/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyOZUMKUAKWHUVGU-UHFFFAOYSA-N
MW406.93 g/mol
LogP2.34
Rot. Bonds11

About 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 43890415) has the molecular formula C17H27ClN2O5S and a molecular weight of 406.93 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID43890415
Molecular FormulaC17H27ClN2O5S
Molecular Weight406.93 g/mol
Exact Mass406.13
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20-13(4)17(21)19-9-6-10-25-12(2)3/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyOZUMKUAKWHUVGU-UHFFFAOYSA-N
XLogP2.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 52.34
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

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 30168127
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890659
methyl 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzoate
CID 43890406
4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
CID 43890408
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 43890350
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 43890939

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (CID 43890415) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCOC(C)C.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is OZUMKUAKWHUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20-13(4)17(21)19-9-6-10-25-12(2)3/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,19,21).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 406.93 g/mol, XLogP of 2.34, 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-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 43890415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).