(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

C13H16Cl2N2O3S — CID 124561154

IUPAC(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H16Cl2N2O3S/c1-4-7-16-13(18)9(2)17(21(3,19)20)12-8-10(14)5-6-11(12)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,18)/t9-/m1/s1
InChIKeyXURKUBBUYPHTNU-SECBINFHSA-N
MW351.26 g/mol
LogP2.45
Rot. Bonds6

About (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (PubChem CID 124561154) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
PubChem CID124561154
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H16Cl2N2O3S/c1-4-7-16-13(18)9(2)17(21(3,19)20)12-8-10(14)5-6-11(12)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,18)/t9-/m1/s1
InChIKeyXURKUBBUYPHTNU-SECBINFHSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (CID 124561154) is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is C=CCNC(=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-prop-2-enylpropanamide?
The InChIKey is XURKUBBUYPHTNU-SECBINFHSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-4-7-16-13(18)9(2)17(21(3,19)20)12-8-10(14)5-6-11(12)15/h4-6,8-9H,1,7H2,2-3H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide has a molecular weight of 351.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 124561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).