2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide

C25H27ClN2O5S — CID 21367757

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-15-6-11-23(32-5)22(12-15)28-34(30,31)21-9-7-19(8-10-21)27-25(29)18(4)33-20-13-16(2)24(26)17(3)14-20/h6-14,18,28H,1-5H3,(H,27,29)
InChIKeyFXYOOHZCZZZDBG-UHFFFAOYSA-N
MW503.02 g/mol
LogP5.48
Rot. Bonds8

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 21367757) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID21367757
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-15-6-11-23(32-5)22(12-15)28-34(30,31)21-9-7-19(8-10-21)27-25(29)18(4)33-20-13-16(2)24(26)17(3)14-20/h6-14,18,28H,1-5H3,(H,27,29)
InChIKeyFXYOOHZCZZZDBG-UHFFFAOYSA-N
XLogP5.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.02
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21173686
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 93488180
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 124555621
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide (CID 21367757) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is FXYOOHZCZZZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-15-6-11-23(32-5)22(12-15)28-34(30,31)21-9-7-19(8-10-21)27-25(29)18(4)33-20-13-16(2)24(26)17(3)14-20/h6-14,18,28H,1-5H3,(H,27,29).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 503.02 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 21367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).