2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide

C20H23ClN2O5S — CID 132671646

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O5S/c1-5-11-28-17-8-6-7-16(13-17)22-20(24)14(2)23(29(4,25)26)18-12-15(21)9-10-19(18)27-3/h5-10,12-14H,1,11H2,2-4H3,(H,22,24)
InChIKeyAOZDPYHNPVWDSO-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.71
Rot. Bonds9

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide (PubChem CID 132671646) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide
PubChem CID132671646
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O5S/c1-5-11-28-17-8-6-7-16(13-17)22-20(24)14(2)23(29(4,25)26)18-12-15(21)9-10-19(18)27-3/h5-10,12-14H,1,11H2,2-4H3,(H,22,24)
InChIKeyAOZDPYHNPVWDSO-UHFFFAOYSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133229286
(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
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-nitrophenyl)propanamide
CID 41178529
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
(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
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide (CID 132671646) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide is C=CCOc1cccc(NC(=O)C(C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide?
The InChIKey is AOZDPYHNPVWDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-5-11-28-17-8-6-7-16(13-17)22-20(24)14(2)23(29(4,25)26)18-12-15(21)9-10-19(18)27-3/h5-10,12-14H,1,11H2,2-4H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)propanamide has a molecular weight of 438.93 g/mol, XLogP of 3.71, 9 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-(3-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 132671646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).