2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide

C23H22Cl2N2O4S — CID 43890974

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-2-31-21-13-10-18(25)15-22(21)32(29,30)27-20(14-16-6-4-3-5-7-16)23(28)26-19-11-8-17(24)9-12-19/h3-13,15,20,27H,2,14H2,1H3,(H,26,28)
InChIKeyKAHNDWCAAFAPBW-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.92
Rot. Bonds9

About 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide (PubChem CID 43890974) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
PubChem CID43890974
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-2-31-21-13-10-18(25)15-22(21)32(29,30)27-20(14-16-6-4-3-5-7-16)23(28)26-19-11-8-17(24)9-12-19/h3-13,15,20,27H,2,14H2,1H3,(H,26,28)
InChIKeyKAHNDWCAAFAPBW-UHFFFAOYSA-N
XLogP4.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethyl-3-phenylpropanamide
CID 43890925
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 43871505
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 43890958
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 43890939
ethyl 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 28542875
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28542878
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542725
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542728
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 43890949

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide (CID 43890974) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide?
The InChIKey is KAHNDWCAAFAPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-2-31-21-13-10-18(25)15-22(21)32(29,30)27-20(14-16-6-4-3-5-7-16)23(28)26-19-11-8-17(24)9-12-19/h3-13,15,20,27H,2,14H2,1H3,(H,26,28).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide has a molecular weight of 493.41 g/mol, XLogP of 4.92, 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-(4-chlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 43890974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).