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

C25H27ClN2O4S — CID 43890958

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C25H27ClN2O4S/c1-4-32-23-14-13-20(26)16-24(23)33(30,31)28-22(15-19-10-6-5-7-11-19)25(29)27-21-12-8-9-17(2)18(21)3/h5-14,16,22,28H,4,15H2,1-3H3,(H,27,29)
InChIKeyKZQUKQBZEXRNDE-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.88
Rot. Bonds9

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

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide (PubChem CID 43890958) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
PubChem CID43890958
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C25H27ClN2O4S/c1-4-32-23-14-13-20(26)16-24(23)33(30,31)28-22(15-19-10-6-5-7-11-19)25(29)27-21-12-8-9-17(2)18(21)3/h5-14,16,22,28H,4,15H2,1-3H3,(H,27,29)
InChIKeyKZQUKQBZEXRNDE-UHFFFAOYSA-N
XLogP4.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
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
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 43891017
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 43890939
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide (CID 43890958) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is KZQUKQBZEXRNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-4-32-23-14-13-20(26)16-24(23)33(30,31)28-22(15-19-10-6-5-7-11-19)25(29)27-21-12-8-9-17(2)18(21)3/h5-14,16,22,28H,4,15H2,1-3H3,(H,27,29).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 487.02 g/mol, XLogP of 4.88, 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-(2,3-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43890958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).