(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide

C19H22Cl2N2O4S — CID 92675165

IUPAC(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-4-27-18-8-6-5-7-14(18)12-22-19(24)13(2)23(28(3,25)26)17-11-15(20)9-10-16(17)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXKBFGENNYJGIRM-CYBMUJFWSA-N
MW445.37 g/mol
LogP3.86
Rot. Bonds8

About (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 92675165) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
PubChem CID92675165
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-4-27-18-8-6-5-7-14(18)12-22-19(24)13(2)23(28(3,25)26)17-11-15(20)9-10-16(17)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXKBFGENNYJGIRM-CYBMUJFWSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 94018605
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 132668645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide (CID 92675165) is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide?
The InChIKey is XKBFGENNYJGIRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-4-27-18-8-6-5-7-14(18)12-22-19(24)13(2)23(28(3,25)26)17-11-15(20)9-10-16(17)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide?
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 445.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 92675165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).