N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C19H23ClN2O5S — CID 2912764

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-5-27-16-9-7-15(8-10-16)22(28(4,24)25)13(2)19(23)21-17-12-14(20)6-11-18(17)26-3/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeySVSYYZLFVCNHFC-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.54
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 2912764) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID2912764
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-5-27-16-9-7-15(8-10-16)22(28(4,24)25)13(2)19(23)21-17-12-14(20)6-11-18(17)26-3/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeySVSYYZLFVCNHFC-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide
CID 24954431
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1084866
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-N-hydroxy-2-morpholinopropanamide
CID 24954070
(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-15-ylsulfonamido)-N,2-dihydroxypropanamide
CID 24955511
N-(2-(3,4-Dichlorophenylamino)ethyl)-2-(4-(methylsulfonamido)phenoxy)acetamide
CID 44622834
N-[3-(3,4-dichloroanilino)propyl]-2-[4-(methanesulfonamido)phenoxy]acetamide
CID 46227039
N-(4-(2-(2-(3,4-Dichlorophenylamino)ethylamino)-ethoxy)phenyl)methanesulfonamide
CID 46227093
N-(4-(2-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)methanesulfonamide
CID 46227094
2-[(3-Chloro-4-methoxy-phenyl)-methanesulfonyl-amino]-N-(2,5-dimethoxy-phenyl)-acetamide
CID 655066

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 2912764) is N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SVSYYZLFVCNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-5-27-16-9-7-15(8-10-16)22(28(4,24)25)13(2)19(23)21-17-12-14(20)6-11-18(17)26-3/h6-13H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 426.92 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2912764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).