(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide

C23H21Cl3N2O4S — CID 94860896

IUPAC(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C23H21Cl3N2O4S/c1-32-22-10-9-18(13-20(22)26)33(30,31)28-21(11-15-5-3-2-4-6-15)23(29)27-14-16-7-8-17(24)12-19(16)25/h2-10,12-13,21,28H,11,14H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyLFZQWLQNYSWAMA-OAQYLSRUSA-N
MW527.86 g/mol
LogP4.86
Rot. Bonds9

About (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide

(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 94860896) has the molecular formula C23H21Cl3N2O4S and a molecular weight of 527.86 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
PubChem CID94860896
Molecular FormulaC23H21Cl3N2O4S
Molecular Weight527.86 g/mol
Exact Mass526.03
IUPAC Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C23H21Cl3N2O4S/c1-32-22-10-9-18(13-20(22)26)33(30,31)28-21(11-15-5-3-2-4-6-15)23(29)27-14-16-7-8-17(24)12-19(16)25/h2-10,12-13,21,28H,11,14H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyLFZQWLQNYSWAMA-OAQYLSRUSA-N
XLogP4.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.86
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 28538957
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870745
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 30166393
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 43891065
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 43870904
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)-3-phenylpropanamide
CID 28539138
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2S)-N-tert-butyl-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538888

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide (CID 94860896) is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is LFZQWLQNYSWAMA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21Cl3N2O4S/c1-32-22-10-9-18(13-20(22)26)33(30,31)28-21(11-15-5-3-2-4-6-15)23(29)27-14-16-7-8-17(24)12-19(16)25/h2-10,12-13,21,28H,11,14H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide?
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 527.86 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 94860896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).