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

C23H22ClN3O5S — CID 28542878

IUPAC4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-32-20-12-9-17(24)14-21(20)33(30,31)27-19(13-15-5-3-2-4-6-15)23(29)26-18-10-7-16(8-11-18)22(25)28/h2-12,14,19,27H,13H2,1H3,(H2,25,28)(H,26,29)/t19-/m0/s1
InChIKeyHWXLENCSQFSYIK-IBGZPJMESA-N
MW487.97 g/mol
LogP2.98
Rot. Bonds9

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

4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide (PubChem CID 28542878) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
PubChem CID28542878
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC Name4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-32-20-12-9-17(24)14-21(20)33(30,31)27-19(13-15-5-3-2-4-6-15)23(29)26-18-10-7-16(8-11-18)22(25)28/h2-12,14,19,27H,13H2,1H3,(H2,25,28)(H,26,29)/t19-/m0/s1
InChIKeyHWXLENCSQFSYIK-IBGZPJMESA-N
XLogP2.98
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 43891017
ethyl 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 28542875
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 43871505
(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
dimethyl 5-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94861067
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide (CID 28542878) is 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
The InChIKey is HWXLENCSQFSYIK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-32-20-12-9-17(24)14-21(20)33(30,31)27-19(13-15-5-3-2-4-6-15)23(29)26-18-10-7-16(8-11-18)22(25)28/h2-12,14,19,27H,13H2,1H3,(H2,25,28)(H,26,29)/t19-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide?
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide has a molecular weight of 487.97 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide is sourced from PubChem (CID 28542878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).