4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide

C24H24ClN3O5S — CID 43891017

IUPAC4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H24ClN3O5S/c1-2-33-21-13-10-18(25)15-22(21)34(31,32)28-20(14-16-6-4-3-5-7-16)24(30)27-19-11-8-17(9-12-19)23(26)29/h3-13,15,20,28H,2,14H2,1H3,(H2,26,29)(H,27,30)
InChIKeyNCADKGLPRUNNDZ-UHFFFAOYSA-N
MW501.99 g/mol
LogP3.37
Rot. Bonds10

About 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide

4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide (PubChem CID 43891017) has the molecular formula C24H24ClN3O5S and a molecular weight of 501.99 g/mol. Its IUPAC name is 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
PubChem CID43891017
Molecular FormulaC24H24ClN3O5S
Molecular Weight501.99 g/mol
Exact Mass501.11
IUPAC Name4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C24H24ClN3O5S/c1-2-33-21-13-10-18(25)15-22(21)34(31,32)28-20(14-16-6-4-3-5-7-16)24(30)27-19-11-8-17(9-12-19)23(26)29/h3-13,15,20,28H,2,14H2,1H3,(H2,26,29)(H,27,30)
InChIKeyNCADKGLPRUNNDZ-UHFFFAOYSA-N
XLogP3.37
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.99
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28542878
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
CID 43890408
ethyl 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 28542875
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
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 43890949
(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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide (CID 43891017) is 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The InChIKey is NCADKGLPRUNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5S/c1-2-33-21-13-10-18(25)15-22(21)34(31,32)28-20(14-16-6-4-3-5-7-16)24(30)27-19-11-8-17(9-12-19)23(26)29/h3-13,15,20,28H,2,14H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide has a molecular weight of 501.99 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide is sourced from PubChem (CID 43891017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).