2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

C19H23ClN2O4S — CID 53281375

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-13-7-5-6-8-15(13)12-21-19(23)14(2)22(27(4,24)25)17-11-16(20)9-10-18(17)26-3/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyXEHSSAMXDYLDBT-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.13
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 53281375) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID53281375
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-13-7-5-6-8-15(13)12-21-19(23)14(2)22(27(4,24)25)17-11-16(20)9-10-18(17)26-3/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyXEHSSAMXDYLDBT-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53281583
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
(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-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 53281375) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is XEHSSAMXDYLDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13-7-5-6-8-15(13)12-21-19(23)14(2)22(27(4,24)25)17-11-16(20)9-10-18(17)26-3/h5-11,14H,12H2,1-4H3,(H,21,23).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53281375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).