N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide

C24H26N2O5S — CID 4942717

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-16-5-6-20(15-17(16)2)26-32(28,29)23-13-7-19(8-14-23)25-24(27)18(3)31-22-11-9-21(30-4)10-12-22/h5-15,18,26H,1-4H3,(H,25,27)
InChIKeyOXOQDIKGEPUQQN-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.52
Rot. Bonds8

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 4942717) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID4942717
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-16-5-6-20(15-17(16)2)26-32(28,29)23-13-7-19(8-14-23)25-24(27)18(3)31-22-11-9-21(30-4)10-12-22/h5-15,18,26H,1-4H3,(H,25,27)
InChIKeyOXOQDIKGEPUQQN-UHFFFAOYSA-N
XLogP4.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28632657
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide (CID 4942717) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is OXOQDIKGEPUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-5-6-20(15-17(16)2)26-32(28,29)23-13-7-19(8-14-23)25-24(27)18(3)31-22-11-9-21(30-4)10-12-22/h5-15,18,26H,1-4H3,(H,25,27).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 454.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 4942717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).