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

C19H23ClN2O4S — CID 43890925

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OCC
InChIInChI=1S/C19H23ClN2O4S/c1-3-21-19(23)16(12-14-8-6-5-7-9-14)22-27(24,25)18-13-15(20)10-11-17(18)26-4-2/h5-11,13,16,22H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFYSPQBXNZQWSAU-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.76
Rot. Bonds9

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

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide (PubChem CID 43890925) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
PubChem CID43890925
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OCC
InChIInChI=1S/C19H23ClN2O4S/c1-3-21-19(23)16(12-14-8-6-5-7-9-14)22-27(24,25)18-13-15(20)10-11-17(18)26-4-2/h5-11,13,16,22H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFYSPQBXNZQWSAU-UHFFFAOYSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 43890939
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 43890949
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-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide (CID 43890925) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OCC.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide?
The InChIKey is FYSPQBXNZQWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-3-21-19(23)16(12-14-8-6-5-7-9-14)22-27(24,25)18-13-15(20)10-11-17(18)26-4-2/h5-11,13,16,22H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide has a molecular weight of 410.92 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 43890925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).