(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C18H20Cl2N2O4S — CID 126269148

IUPAC(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-26-14-10-8-13(9-11-14)22(27(3,24)25)12(2)18(23)21-16-7-5-6-15(19)17(16)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyKXWBHGMNGTXURT-LBPRGKRZSA-N
MW431.34 g/mol
LogP4.19
Rot. Bonds7

About (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 126269148) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID126269148
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-26-14-10-8-13(9-11-14)22(27(3,24)25)12(2)18(23)21-16-7-5-6-15(19)17(16)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyKXWBHGMNGTXURT-LBPRGKRZSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 7330182
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40823003
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 126269148) is (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is KXWBHGMNGTXURT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-4-26-14-10-8-13(9-11-14)22(27(3,24)25)12(2)18(23)21-16-7-5-6-15(19)17(16)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 431.34 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126269148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).