2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide

C14H21ClN2O5S — CID 53281553

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O5S/c1-10(14(18)16-7-8-21-2)17(23(4,19)20)12-9-11(15)5-6-13(12)22-3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyBTETZBBLJCKGRB-UHFFFAOYSA-N
MW364.85 g/mol
LogP1.27
Rot. Bonds8

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 53281553) has the molecular formula C14H21ClN2O5S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID53281553
Molecular FormulaC14H21ClN2O5S
Molecular Weight364.85 g/mol
Exact Mass364.09
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O5S/c1-10(14(18)16-7-8-21-2)17(23(4,19)20)12-9-11(15)5-6-13(12)22-3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyBTETZBBLJCKGRB-UHFFFAOYSA-N
XLogP1.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
(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
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53281583
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
CID 125065052
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (CID 53281553) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is BTETZBBLJCKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5S/c1-10(14(18)16-7-8-21-2)17(23(4,19)20)12-9-11(15)5-6-13(12)22-3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 364.85 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 53281553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).