(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C24H25ClN2O5S — CID 126323635

IUPAC(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-4-31-20-13-11-19(12-14-20)27(33(3,29)30)17(2)24(28)26-22-16-18(25)10-15-23(22)32-21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyUJDJRPRAQHEEMU-QGZVFWFLSA-N
MW488.99 g/mol
LogP5.32
Rot. Bonds9

About (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 126323635) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID126323635
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-4-31-20-13-11-19(12-14-20)27(33(3,29)30)17(2)24(28)26-22-16-18(25)10-15-23(22)32-21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyUJDJRPRAQHEEMU-QGZVFWFLSA-N
XLogP5.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2955324
N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978939
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1265240
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2973866
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132672211
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 126323635) is (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is UJDJRPRAQHEEMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-4-31-20-13-11-19(12-14-20)27(33(3,29)30)17(2)24(28)26-22-16-18(25)10-15-23(22)32-21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 488.99 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126323635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).