2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide

C17H18Cl2N2O5S — CID 55690448

IUPAC2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(26-15-6-4-5-12(18)16(15)19)17(22)20-11-7-8-14(25-2)13(9-11)21-27(3,23)24/h4-10,21H,1-3H3,(H,20,22)
InChIKeyIJDPZHOLLWYCSZ-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.78
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide

2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide (PubChem CID 55690448) has the molecular formula C17H18Cl2N2O5S and a molecular weight of 433.31 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
PubChem CID55690448
Molecular FormulaC17H18Cl2N2O5S
Molecular Weight433.31 g/mol
Exact Mass432.03
IUPAC Name2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(26-15-6-4-5-12(18)16(15)19)17(22)20-11-7-8-14(25-2)13(9-11)21-27(3,23)24/h4-10,21H,1-3H3,(H,20,22)
InChIKeyIJDPZHOLLWYCSZ-UHFFFAOYSA-N
XLogP3.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
CID 42990430
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 39882116
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide (CID 55690448) is 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)cc1NS(C)(=O)=O.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
The InChIKey is IJDPZHOLLWYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O5S/c1-10(26-15-6-4-5-12(18)16(15)19)17(22)20-11-7-8-14(25-2)13(9-11)21-27(3,23)24/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide?
2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide has a molecular weight of 433.31 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 55690448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).